5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide

C16H23N5O — CID 72864277

IUPAC5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCCNc2cccnc2)c1C
InChIInChI=1S/C16H23N5O/c1-3-10-21-13(2)15(12-20-21)16(22)19-9-5-8-18-14-6-4-7-17-11-14/h4,6-7,11-12,18H,3,5,8-10H2,1-2H3,(H,19,22)
InChIKeyNGMAHLHYEZWKLI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.23
Rot. Bonds8

About 5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide

5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide (PubChem CID 72864277) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide
PubChem CID72864277
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCCCNc2cccnc2)c1C
InChIInChI=1S/C16H23N5O/c1-3-10-21-13(2)15(12-20-21)16(22)19-9-5-8-18-14-6-4-7-17-11-14/h4,6-7,11-12,18H,3,5,8-10H2,1-2H3,(H,19,22)
InChIKeyNGMAHLHYEZWKLI-UHFFFAOYSA-N
XLogP2.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[2-(pyridin-3-ylamino)ethyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 67959049
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
3-methyl-N-[3-(pyridin-3-ylamino)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 154571393
(2R)-2-methyl-3-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 97283275
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
1-methyl-N-[3-(pyridin-3-ylamino)propyl]azepane-2-carboxamide
CID 72889342
(5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72886272
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 72855145
N-[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 97116423
5-methyl-N-[2-[(2R)-4-methylmorpholin-2-yl]ethyl]-1-propylpyrazole-4-carboxamide
CID 95188653
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2992500

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide (CID 72864277) is 5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide is CCCn1ncc(C(=O)NCCCNc2cccnc2)c1C.
What is the InChIKey of 5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide?
The InChIKey is NGMAHLHYEZWKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-10-21-13(2)15(12-20-21)16(22)19-9-5-8-18-14-6-4-7-17-11-14/h4,6-7,11-12,18H,3,5,8-10H2,1-2H3,(H,19,22).
What are the key properties of 5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide?
5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propyl-N-[3-(pyridin-3-ylamino)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 72864277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).