4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

C15H21N5O — CID 65357815

IUPAC4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(Cc2cccnc2)C(C)C)n1
InChIInChI=1S/C15H21N5O/c1-4-19-10-13(16)14(18-19)15(21)20(11(2)3)9-12-6-5-7-17-8-12/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyWGPXIOQCIUROHD-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.93
Rot. Bonds5

About 4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 65357815) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID65357815
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(Cc2cccnc2)C(C)C)n1
InChIInChI=1S/C15H21N5O/c1-4-19-10-13(16)14(18-19)15(21)20(11(2)3)9-12-6-5-7-17-8-12/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyWGPXIOQCIUROHD-UHFFFAOYSA-N
XLogP1.93
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-methyl-N-pyridin-3-ylpyrazole-3-carboxamide
CID 65363090
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 65358594
5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 81316551
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
4-amino-1-(pyridin-3-ylmethyl)pyrazole-3-carboxylic acid
CID 107344308
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
(2S)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 61164190
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 113307589

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (CID 65357815) is 4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(Cc2cccnc2)C(C)C)n1.
What is the InChIKey of 4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is WGPXIOQCIUROHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-19-10-13(16)14(18-19)15(21)20(11(2)3)9-12-6-5-7-17-8-12/h5-8,10-11H,4,9,16H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 65357815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).