4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide

C12H17ClN4O2 — CID 63307715

IUPAC4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
SMILESO=C(CCCCl)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C12H17ClN4O2/c13-5-1-2-11(18)16-10-6-14-17(7-10)8-12(19)15-9-3-4-9/h6-7,9H,1-5,8H2,(H,15,19)(H,16,18)
InChIKeyRSCGKJFQGKZQTH-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.12
Rot. Bonds7

About 4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide

4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide (PubChem CID 63307715) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
PubChem CID63307715
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
SMILESO=C(CCCCl)Nc1cnn(CC(=O)NC2CC2)c1
InChIInChI=1S/C12H17ClN4O2/c13-5-1-2-11(18)16-10-6-14-17(7-10)8-12(19)15-9-3-4-9/h6-7,9H,1-5,8H2,(H,15,19)(H,16,18)
InChIKeyRSCGKJFQGKZQTH-UHFFFAOYSA-N
XLogP1.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
CID 62836061
4-chloro-N-(1-ethylpyrazol-4-yl)butanamide
CID 63309396
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 55035959
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyethylamino)acetamide
CID 79270069
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 119728688
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
2-bromo-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 60933891
1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 52718261
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
4-chloro-N-cyclopropylbutanamide
CID 5152347

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide?
The IUPAC name of 4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide (CID 63307715) is 4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide?
The canonical SMILES for 4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide is O=C(CCCCl)Nc1cnn(CC(=O)NC2CC2)c1.
What is the InChIKey of 4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide?
The InChIKey is RSCGKJFQGKZQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c13-5-1-2-11(18)16-10-6-14-17(7-10)8-12(19)15-9-3-4-9/h6-7,9H,1-5,8H2,(H,15,19)(H,16,18).
What are the key properties of 4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide?
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide has a molecular weight of 284.75 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide is sourced from PubChem (CID 63307715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).