3-amino-N-ethyl-1-propylpyrazole-4-carboxamide

C9H16N4O — CID 146680638

IUPAC3-amino-N-ethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC)c(N)n1
InChIInChI=1S/C9H16N4O/c1-3-5-13-6-7(8(10)12-13)9(14)11-4-2/h6H,3-5H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyFDOITLZDYMLUAK-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.62
Rot. Bonds4

About 3-amino-N-ethyl-1-propylpyrazole-4-carboxamide

3-amino-N-ethyl-1-propylpyrazole-4-carboxamide (PubChem CID 146680638) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-amino-N-ethyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-1-propylpyrazole-4-carboxamide
PubChem CID146680638
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-amino-N-ethyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCC)c(N)n1
InChIInChI=1S/C9H16N4O/c1-3-5-13-6-7(8(10)12-13)9(14)11-4-2/h6H,3-5H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyFDOITLZDYMLUAK-UHFFFAOYSA-N
XLogP0.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-butyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680580
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide
CID 60810102
3-amino-1-(2-fluoroethyl)-N,N-dipropylpyrazole-4-carboxamide
CID 146680636
3-amino-N-butyl-1-(2-fluoroethyl)-N-methylpyrazole-4-carboxamide
CID 146680632
3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680574
3-amino-N,1-diethyl-N-methylpyrazole-4-carboxamide
CID 146680522
3-methyl-1-propylpyrazole-4-carbonyl chloride
CID 15616731
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 72927235
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809447
3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
CID 146680558
4-nitro-1-propylpyrazol-3-amine
CID 122604128
3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680579

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-ethyl-1-propylpyrazole-4-carboxamide (CID 146680638) is 3-amino-N-ethyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NCC)c(N)n1.
What is the InChIKey of 3-amino-N-ethyl-1-propylpyrazole-4-carboxamide?
The InChIKey is FDOITLZDYMLUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-5-13-6-7(8(10)12-13)9(14)11-4-2/h6H,3-5H2,1-2H3,(H2,10,12)(H,11,14).
What are the key properties of 3-amino-N-ethyl-1-propylpyrazole-4-carboxamide?
3-amino-N-ethyl-1-propylpyrazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 146680638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).