4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

C16H19BrN8O2 — CID 19537728

IUPAC4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCC(C(=O)Nc1cnn(C)c1C(=O)NCc1cnn(C)c1)n1cc(Br)cn1
InChIInChI=1S/C16H19BrN8O2/c1-10(25-9-12(17)6-21-25)15(26)22-13-7-20-24(3)14(13)16(27)18-4-11-5-19-23(2)8-11/h5-10H,4H2,1-3H3,(H,18,27)(H,22,26)
InChIKeyDYBDEUGWQUBOTE-UHFFFAOYSA-N
MW435.29 g/mol
LogP1.24
Rot. Bonds6

About 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide

4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 19537728) has the molecular formula C16H19BrN8O2 and a molecular weight of 435.29 g/mol. Its IUPAC name is 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
PubChem CID19537728
Molecular FormulaC16H19BrN8O2
Molecular Weight435.29 g/mol
Exact Mass434.08
IUPAC Name4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCC(C(=O)Nc1cnn(C)c1C(=O)NCc1cnn(C)c1)n1cc(Br)cn1
InChIInChI=1S/C16H19BrN8O2/c1-10(25-9-12(17)6-21-25)15(26)22-13-7-20-24(3)14(13)16(27)18-4-11-5-19-23(2)8-11/h5-10H,4H2,1-3H3,(H,18,27)(H,22,26)
InChIKeyDYBDEUGWQUBOTE-UHFFFAOYSA-N
XLogP1.24
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19406207
4-[(4-bromo-1-methylpyrazole-5-carbonyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19475210
4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336835
4-[(4-chlorophenyl)carbamoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19449703
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-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336834
4-[[2-(4-chloropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19525062
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
2-[4-[[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500749
1-methyl-4-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazole-5-carboxylic acid
CID 19623851
3-(4-bromopyrazol-1-yl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19564654

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide (CID 19537728) is 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is CC(C(=O)Nc1cnn(C)c1C(=O)NCc1cnn(C)c1)n1cc(Br)cn1.
What is the InChIKey of 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is DYBDEUGWQUBOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN8O2/c1-10(25-9-12(17)6-21-25)15(26)22-13-7-20-24(3)14(13)16(27)18-4-11-5-19-23(2)8-11/h5-10H,4H2,1-3H3,(H,18,27)(H,22,26).
What are the key properties of 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide?
4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 435.29 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19537728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).