2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide

C13H21N5O3 — CID 62472501

IUPAC2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C13H21N5O3/c1-21-5-4-11(14)13(20)17-10-6-15-18(7-10)8-12(19)16-9-2-3-9/h6-7,9,11H,2-5,8,14H2,1H3,(H,16,19)(H,17,20)
InChIKeyFYCKTIXJGGDBNT-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.54
Rot. Bonds8

About 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide

2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide (PubChem CID 62472501) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide
PubChem CID62472501
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C13H21N5O3/c1-21-5-4-11(14)13(20)17-10-6-15-18(7-10)8-12(19)16-9-2-3-9/h6-7,9,11H,2-5,8,14H2,1H3,(H,16,19)(H,17,20)
InChIKeyFYCKTIXJGGDBNT-UHFFFAOYSA-N
XLogP-0.54
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
CID 81082805
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
CID 79270069
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid
CID 64895222
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
(2S)-2-(4-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 155950480
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 55035959
2-amino-3-methoxy-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120988056
N-cyclopropyl-2-[4-(hexan-3-ylamino)pyrazol-1-yl]acetamide
CID 103960972
(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide
CID 119800898

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide (CID 62472501) is 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide is COCCC(N)C(=O)Nc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide?
The InChIKey is FYCKTIXJGGDBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-21-5-4-11(14)13(20)17-10-6-15-18(7-10)8-12(19)16-9-2-3-9/h6-7,9,11H,2-5,8,14H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide?
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide has a molecular weight of 295.34 g/mol, XLogP of -0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybutanamide is sourced from PubChem (CID 62472501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).