4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

C15H17ClN8O2 — CID 19525062

IUPAC4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCn1cc(CNC(=O)c2c(NC(=O)Cn3cc(Cl)cn3)cnn2C)cn1
InChIInChI=1S/C15H17ClN8O2/c1-22-7-10(4-18-22)3-17-15(26)14-12(6-19-23(14)2)21-13(25)9-24-8-11(16)5-20-24/h4-8H,3,9H2,1-2H3,(H,17,26)(H,21,25)
InChIKeyZJJBVIAYYGXNKJ-UHFFFAOYSA-N
MW376.81 g/mol
LogP0.57
Rot. Bonds6

About 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 19525062) has the molecular formula C15H17ClN8O2 and a molecular weight of 376.81 g/mol. Its IUPAC name is 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
PubChem CID19525062
Molecular FormulaC15H17ClN8O2
Molecular Weight376.81 g/mol
Exact Mass376.12
IUPAC Name4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCn1cc(CNC(=O)c2c(NC(=O)Cn3cc(Cl)cn3)cnn2C)cn1
InChIInChI=1S/C15H17ClN8O2/c1-22-7-10(4-18-22)3-17-15(26)14-12(6-19-23(14)2)21-13(25)9-24-8-11(16)5-20-24/h4-8H,3,9H2,1-2H3,(H,17,26)(H,21,25)
InChIKeyZJJBVIAYYGXNKJ-UHFFFAOYSA-N
XLogP0.57
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.81
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide with MolForge

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Related Compounds

4-[(4-chlorophenyl)carbamoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19449703
2-[4-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500749
4-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19475210
4-[[2-(3-methoxy-4-nitropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19516421
4-chloro-1-ethyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263499
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19336777
4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336853
4-[(2-iodobenzoyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336742
4-[[1-(methoxymethyl)pyrazole-3-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19270987
1-methyl-4-[[2-[5-methyl-4-nitro-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19524452
4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19537728
4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336835

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (CID 19525062) is 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is Cn1cc(CNC(=O)c2c(NC(=O)Cn3cc(Cl)cn3)cnn2C)cn1.
What is the InChIKey of 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is ZJJBVIAYYGXNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN8O2/c1-22-7-10(4-18-22)3-17-15(26)14-12(6-19-23(14)2)21-13(25)9-24-8-11(16)5-20-24/h4-8H,3,9H2,1-2H3,(H,17,26)(H,21,25).
What are the key properties of 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 376.81 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19525062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).