2-[4-(butylamino)pyrazol-1-yl]acetamide

C9H16N4O — CID 43695314

IUPAC2-[4-(butylamino)pyrazol-1-yl]acetamide
SMILESCCCCNc1cnn(CC(N)=O)c1
InChIInChI=1S/C9H16N4O/c1-2-3-4-11-8-5-12-13(6-8)7-9(10)14/h5-6,11H,2-4,7H2,1H3,(H2,10,14)
InChIKeyPNNRTZAMGFDANU-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.58
Rot. Bonds6

About 2-[4-(butylamino)pyrazol-1-yl]acetamide

2-[4-(butylamino)pyrazol-1-yl]acetamide (PubChem CID 43695314) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[4-(butylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(butylamino)pyrazol-1-yl]acetamide
PubChem CID43695314
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[4-(butylamino)pyrazol-1-yl]acetamide
SMILESCCCCNc1cnn(CC(N)=O)c1
InChIInChI=1S/C9H16N4O/c1-2-3-4-11-8-5-12-13(6-8)7-9(10)14/h5-6,11H,2-4,7H2,1H3,(H2,10,14)
InChIKeyPNNRTZAMGFDANU-UHFFFAOYSA-N
XLogP0.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide
CID 103087519
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
2-[4-(heptan-2-ylamino)pyrazol-1-yl]acetamide
CID 43695034
2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
2-[4-(methanesulfonamido)pyrazol-1-yl]acetamide
CID 61062005
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086
2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
CID 43783563
N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
CID 60932429
2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 106816369
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butylamino)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(butylamino)pyrazol-1-yl]acetamide (CID 43695314) is 2-[4-(butylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(butylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(butylamino)pyrazol-1-yl]acetamide is CCCCNc1cnn(CC(N)=O)c1.
What is the InChIKey of 2-[4-(butylamino)pyrazol-1-yl]acetamide?
The InChIKey is PNNRTZAMGFDANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-3-4-11-8-5-12-13(6-8)7-9(10)14/h5-6,11H,2-4,7H2,1H3,(H2,10,14).
What are the key properties of 2-[4-(butylamino)pyrazol-1-yl]acetamide?
2-[4-(butylamino)pyrazol-1-yl]acetamide has a molecular weight of 196.25 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43695314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).