N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide

C13H18N6O2 — CID 19559794

IUPACN,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)CCn1cc(C)cn1
InChIInChI=1S/C13H18N6O2/c1-9-6-15-19(7-9)5-4-11(20)16-10-8-18(3)17-12(10)13(21)14-2/h6-8H,4-5H2,1-3H3,(H,14,21)(H,16,20)
InChIKeyBPYPNPVQMNWZJV-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.31
Rot. Bonds5

About N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide

N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide (PubChem CID 19559794) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
PubChem CID19559794
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)CCn1cc(C)cn1
InChIInChI=1S/C13H18N6O2/c1-9-6-15-19(7-9)5-4-11(20)16-10-8-18(3)17-12(10)13(21)14-2/h6-8H,4-5H2,1-3H3,(H,14,21)(H,16,20)
InChIKeyBPYPNPVQMNWZJV-UHFFFAOYSA-N
XLogP0.31
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-chloroacetyl)amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410660
1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19555657
1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539981
4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 4777173
N-(4-aminophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60871929
N-(2-amino-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60872907
N-(2-bromo-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 47353212
N,1-dimethyl-4-[[2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]pyrazole-3-carboxamide
CID 19564157
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 87044058
3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
N,1-dimethyl-4-[3-[4-(prop-2-enoylamino)phenyl]propanoylamino]pyrazole-3-carboxamide
CID 166421920
N-(5-amino-2-methoxyphenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60874213

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide (CID 19559794) is N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)CCn1cc(C)cn1.
What is the InChIKey of N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The InChIKey is BPYPNPVQMNWZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-9-6-15-19(7-9)5-4-11(20)16-10-8-18(3)17-12(10)13(21)14-2/h6-8H,4-5H2,1-3H3,(H,14,21)(H,16,20).
What are the key properties of N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[3-(4-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide is sourced from PubChem (CID 19559794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).