4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide

C10H15N5O2 — CID 65354922

IUPAC4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCC(=O)NC2CC2)n1
InChIInChI=1S/C10H15N5O2/c1-15-5-7(11)9(14-15)10(17)12-4-8(16)13-6-2-3-6/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,16)
InChIKeyKBNHPSBYUANFMT-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.99
Rot. Bonds4

About 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide

4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 65354922) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide
PubChem CID65354922
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)NCC(=O)NC2CC2)n1
InChIInChI=1S/C10H15N5O2/c1-15-5-7(11)9(14-15)10(17)12-4-8(16)13-6-2-3-6/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,16)
InChIKeyKBNHPSBYUANFMT-UHFFFAOYSA-N
XLogP-0.99
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-hydroxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65354699
4-amino-N-(4-methoxycyclohexyl)-1-methylpyrazole-3-carboxamide
CID 59733437
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
4-amino-N-[(4-hydroxycyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 106119084
4-amino-N-(3,5-dimethylcyclohexyl)-1-methylpyrazole-3-carboxamide
CID 65355546
4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
CID 106021956
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-cyclopropylacetamide
CID 103078075
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-N-(1-cyclohexylpropyl)-1-methylpyrazole-3-carboxamide
CID 65354049
4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide
CID 131241275
4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 122445348

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide (CID 65354922) is 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)NCC(=O)NC2CC2)n1.
What is the InChIKey of 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is KBNHPSBYUANFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-15-5-7(11)9(14-15)10(17)12-4-8(16)13-6-2-3-6/h5-6H,2-4,11H2,1H3,(H,12,17)(H,13,16).
What are the key properties of 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide?
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).