4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide

C14H25N5O — CID 63207158

IUPAC4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)CCN2CCCC2)c1N
InChIInChI=1S/C14H25N5O/c1-10(2)12-11(15)13(17-16-12)14(20)18(3)8-9-19-6-4-5-7-19/h10H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyZMADTBPCGNVCBQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.28
Rot. Bonds5

About 4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide

4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 63207158) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID63207158
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)CCN2CCCC2)c1N
InChIInChI=1S/C14H25N5O/c1-10(2)12-11(15)13(17-16-12)14(20)18(3)8-9-19-6-4-5-7-19/h10H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyZMADTBPCGNVCBQ-UHFFFAOYSA-N
XLogP1.28
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide (CID 63207158) is 4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(C)CCN2CCCC2)c1N.
What is the InChIKey of 4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZMADTBPCGNVCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10(2)12-11(15)13(17-16-12)14(20)18(3)8-9-19-6-4-5-7-19/h10H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide?
4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63207158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).