1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide

C12H15N5O — CID 104535988

IUPAC1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide
SMILESCCCNc1cncc(-n2ccc(C(N)=O)n2)c1
InChIInChI=1S/C12H15N5O/c1-2-4-15-9-6-10(8-14-7-9)17-5-3-11(16-17)12(13)18/h3,5-8,15H,2,4H2,1H3,(H2,13,18)
InChIKeyWBLLDWDUMBBYTM-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.19
Rot. Bonds5

About 1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide

1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide (PubChem CID 104535988) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide
PubChem CID104535988
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide
SMILESCCCNc1cncc(-n2ccc(C(N)=O)n2)c1
InChIInChI=1S/C12H15N5O/c1-2-4-15-9-6-10(8-14-7-9)17-5-3-11(16-17)12(13)18/h3,5-8,15H,2,4H2,1H3,(H2,13,18)
InChIKeyWBLLDWDUMBBYTM-UHFFFAOYSA-N
XLogP1.19
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(methylamino)-3-pyridinyl]pyrazole-3-carboxamide
CID 104535990
5-(3-methylpyrazol-1-yl)-N-propylpyridin-3-amine
CID 104535962
1-[2,6-difluoro-4-(propylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 64780213
2-[[5-(propylamino)-3-pyridinyl]amino]ethylurea
CID 113424225
1-[2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]pyrazole-3-carboxamide
CID 103331174
1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]pyrazole-3-carboxamide
CID 80868762
N-propyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-amine
CID 104535971
1-[6-(aminomethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 115487131
3-methyl-3-[[5-(propylamino)-3-pyridinyl]amino]butanamide
CID 106098779
1-(4-aminophenyl)pyrazole-3-carboxamide
CID 25247604
N,N-diethyl-3-[[5-(propylamino)-3-pyridinyl]amino]propanamide
CID 104535849
2-methyl-1-[4-[5-(propylamino)-3-pyridinyl]piperazin-1-yl]propan-2-ol
CID 104534823

Frequently Asked Questions

What is the IUPAC name of 1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide (CID 104535988) is 1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide is CCCNc1cncc(-n2ccc(C(N)=O)n2)c1.
What is the InChIKey of 1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is WBLLDWDUMBBYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-4-15-9-6-10(8-14-7-9)17-5-3-11(16-17)12(13)18/h3,5-8,15H,2,4H2,1H3,(H2,13,18).
What are the key properties of 1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide?
1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(propylamino)-3-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 104535988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).