4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide

C13H22N4O2 — CID 60842431

IUPAC4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
SMILESCNCCCC(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C13H22N4O2/c1-14-6-2-5-13(18)16-11-8-15-17(9-11)10-12-4-3-7-19-12/h8-9,12,14H,2-7,10H2,1H3,(H,16,18)
InChIKeyDDXMRINDRWMWPS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.00
Rot. Bonds7

About 4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide

4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide (PubChem CID 60842431) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
PubChem CID60842431
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
SMILESCNCCCC(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C13H22N4O2/c1-14-6-2-5-13(18)16-11-8-15-17(9-11)10-12-4-3-7-19-12/h8-9,12,14H,2-7,10H2,1H3,(H,16,18)
InChIKeyDDXMRINDRWMWPS-UHFFFAOYSA-N
XLogP1.00
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-(1-hydroxycyclopentyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 111432419
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 103154783
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
1-(3-butoxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037539
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
The IUPAC name of 4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide (CID 60842431) is 4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide is CNCCCC(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
The InChIKey is DDXMRINDRWMWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-14-6-2-5-13(18)16-11-8-15-17(9-11)10-12-4-3-7-19-12/h8-9,12,14H,2-7,10H2,1H3,(H,16,18).
What are the key properties of 4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 60842431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).