(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide

C13H25N5O — CID 119870197

IUPAC(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C13H25N5O/c1-10(2)9-11(14)13(19)15-12-5-6-18(16-12)8-7-17(3)4/h5-6,10-11H,7-9,14H2,1-4H3,(H,15,16,19)/t11-/m0/s1
InChIKeyKOLGHAPRYZAJMK-NSHDSACASA-N
MW267.38 g/mol
LogP0.76
Rot. Bonds7

About (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide

(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide (PubChem CID 119870197) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
PubChem CID119870197
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccn(CCN(C)C)n1
InChIInChI=1S/C13H25N5O/c1-10(2)9-11(14)13(19)15-12-5-6-18(16-12)8-7-17(3)4/h5-6,10-11H,7-9,14H2,1-4H3,(H,15,16,19)/t11-/m0/s1
InChIKeyKOLGHAPRYZAJMK-NSHDSACASA-N
XLogP0.76
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide 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

4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111475349
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 95685516
tert-butyl N-[(2R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]carbamate
CID 60622726
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
2-(4-chloro-2-fluorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-hydroxyacetamide
CID 139008887
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-4-methylpentanamide;dihydrochloride
CID 119891314
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide
CID 119870177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide (CID 119870197) is (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1ccn(CCN(C)C)n1.
What is the InChIKey of (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide?
The InChIKey is KOLGHAPRYZAJMK-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N5O/c1-10(2)9-11(14)13(19)15-12-5-6-18(16-12)8-7-17(3)4/h5-6,10-11H,7-9,14H2,1-4H3,(H,15,16,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide?
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide has a molecular weight of 267.38 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide is sourced from PubChem (CID 119870197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).