4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide

C12H18N6O — CID 106208024

IUPAC4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)c2cn[nH]c2)c1N
InChIInChI=1S/C12H18N6O/c1-3-4-9-10(13)11(18-17-9)12(19)16-7(2)8-5-14-15-6-8/h5-7H,3-4,13H2,1-2H3,(H,14,15)(H,16,19)(H,17,18)
InChIKeyPJFFICBCUALGII-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.16
Rot. Bonds5

About 4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide

4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 106208024) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID106208024
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NC(C)c2cn[nH]c2)c1N
InChIInChI=1S/C12H18N6O/c1-3-4-9-10(13)11(18-17-9)12(19)16-7(2)8-5-14-15-6-8/h5-7H,3-4,13H2,1-2H3,(H,14,15)(H,16,19)(H,17,18)
InChIKeyPJFFICBCUALGII-UHFFFAOYSA-N
XLogP1.16
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-propyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 62076755
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CID 106208104
4-amino-5-ethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 62080944
5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
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4-amino-N-(3,3-dimethylbutan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 113457627
4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
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4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075103
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
4-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077091
4-amino-5-ethyl-N-(1-thiophen-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 62841807
4-amino-N-[1-(oxolan-2-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62075134
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 106208024) is 4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NC(C)c2cn[nH]c2)c1N.
What is the InChIKey of 4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is PJFFICBCUALGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-4-9-10(13)11(18-17-9)12(19)16-7(2)8-5-14-15-6-8/h5-7H,3-4,13H2,1-2H3,(H,14,15)(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106208024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).