4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide

C14H18N4O2 — CID 65353904

IUPAC4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2nn(C)cc2N)cc1
InChIInChI=1S/C14H18N4O2/c1-3-8-20-11-6-4-10(5-7-11)16-14(19)13-12(15)9-18(2)17-13/h4-7,9H,3,8,15H2,1-2H3,(H,16,19)
InChIKeyVIAAWGWTXRRTQS-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.04
Rot. Bonds5

About 4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide

4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide (PubChem CID 65353904) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide
PubChem CID65353904
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2nn(C)cc2N)cc1
InChIInChI=1S/C14H18N4O2/c1-3-8-20-11-6-4-10(5-7-11)16-14(19)13-12(15)9-18(2)17-13/h4-7,9H,3,8,15H2,1-2H3,(H,16,19)
InChIKeyVIAAWGWTXRRTQS-UHFFFAOYSA-N
XLogP2.04
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(4-propoxyphenyl)imidazole-4-carboxamide
CID 107498222
4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
CID 65354090
4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65354625
4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 659584
4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 114051422
4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 65355126
N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110860027
4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 62328004
2-amino-3-methyl-N-(4-propoxyphenyl)benzamide
CID 62329162
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide (CID 65353904) is 4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide is CCCOc1ccc(NC(=O)c2nn(C)cc2N)cc1.
What is the InChIKey of 4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is VIAAWGWTXRRTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-8-20-11-6-4-10(5-7-11)16-14(19)13-12(15)9-18(2)17-13/h4-7,9H,3,8,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide?
4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65353904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).