3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide

C12H20N4O2 — CID 114154013

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H20N4O2/c13-12(18)11(17)8-14-7-9-5-6-16(15-9)10-3-1-2-4-10/h5-6,10-11,14,17H,1-4,7-8H2,(H2,13,18)
InChIKeyGIBYACFBMSSKBD-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.07
Rot. Bonds6

About 3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide

3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide (PubChem CID 114154013) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide
PubChem CID114154013
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H20N4O2/c13-12(18)11(17)8-14-7-9-5-6-16(15-9)10-3-1-2-4-10/h5-6,10-11,14,17H,1-4,7-8H2,(H2,13,18)
InChIKeyGIBYACFBMSSKBD-UHFFFAOYSA-N
XLogP-0.07
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 103491885
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847
3-[(1-cyclopentylpyrazol-3-yl)methylamino]butanamide
CID 113349012
methyl 2-[(1-cyclohexylpyrazol-3-yl)methylamino]propanoate
CID 64800870
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-ethylpentan-1-amine
CID 106286304
2-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-methylpropanamide
CID 64800668
ethyl 3-[(1-cyclopentylpyrazol-3-yl)methylamino]propanoate
CID 64800694
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(4-ethylphenyl)methanamine
CID 103816376
3-[[(1-cyclohexylpyrazol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66004626
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazol-3-yl]methyl]ethanamine
CID 64776990

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide (CID 114154013) is 3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide is NC(=O)C(O)CNCc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide?
The InChIKey is GIBYACFBMSSKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-12(18)11(17)8-14-7-9-5-6-16(15-9)10-3-1-2-4-10/h5-6,10-11,14,17H,1-4,7-8H2,(H2,13,18).
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide?
3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide has a molecular weight of 252.32 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 114154013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).