N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide

C13H22N4O2 — CID 79393845

IUPACN-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide
SMILESO=C(CCCNCc1cnn(CCO)c1)NC1CC1
InChIInChI=1S/C13H22N4O2/c18-7-6-17-10-11(9-15-17)8-14-5-1-2-13(19)16-12-3-4-12/h9-10,12,14,18H,1-8H2,(H,16,19)
InChIKeyRGPZUPRNKCSLMG-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.02
Rot. Bonds9

About N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide

N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide (PubChem CID 79393845) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide
PubChem CID79393845
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide
SMILESO=C(CCCNCc1cnn(CCO)c1)NC1CC1
InChIInChI=1S/C13H22N4O2/c18-7-6-17-10-11(9-15-17)8-14-5-1-2-13(19)16-12-3-4-12/h9-10,12,14,18H,1-8H2,(H,16,19)
InChIKeyRGPZUPRNKCSLMG-UHFFFAOYSA-N
XLogP0.02
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-tert-butylpyrazol-4-yl)methylamino]-N-cyclopropylbutanamide
CID 112729982
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
CID 64829565
2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol
CID 64830147
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 113412472
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide
CID 64829980
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
4-[[[4-(cyclopropylamino)-4-oxobutyl]amino]methyl]benzoic acid
CID 79394418
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 64828582
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
tert-butyl N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
CID 107241305

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide (CID 79393845) is N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide is O=C(CCCNCc1cnn(CCO)c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide?
The InChIKey is RGPZUPRNKCSLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c18-7-6-17-10-11(9-15-17)8-14-5-1-2-13(19)16-12-3-4-12/h9-10,12,14,18H,1-8H2,(H,16,19).
What are the key properties of N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide?
N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide has a molecular weight of 266.34 g/mol, XLogP of 0.02, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide is sourced from PubChem (CID 79393845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).