(2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride

C13H24Cl2N6O2 — CID 119877312

IUPAC(2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C13H22N6O2.2ClH/c1-10(14)13(21)16-11-7-15-19(8-11)9-12(20)18-5-3-17(2)4-6-18;;/h7-8,10H,3-6,9,14H2,1-2H3,(H,16,21);2*1H/t10-;;/m1../s1
InChIKeyCKEGWCAGXQALDL-YQFADDPSSA-N
MW367.28 g/mol
LogP-0.21
Rot. Bonds4

About (2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride

(2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride (PubChem CID 119877312) has the molecular formula C13H24Cl2N6O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride
PubChem CID119877312
Molecular FormulaC13H24Cl2N6O2
Molecular Weight367.28 g/mol
Exact Mass366.13
IUPAC Name(2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1.Cl.Cl
InChIInChI=1S/C13H22N6O2.2ClH/c1-10(14)13(21)16-11-7-15-19(8-11)9-12(20)18-5-3-17(2)4-6-18;;/h7-8,10H,3-6,9,14H2,1-2H3,(H,16,21);2*1H/t10-;;/m1../s1
InChIKeyCKEGWCAGXQALDL-YQFADDPSSA-N
XLogP-0.21
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride 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

3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 119877317
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide
CID 119860866
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
(2S)-2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 119333433
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-3-methylpentanamide;hydrochloride
CID 119800873
(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
CID 119871202
methyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]pyrimidine-5-carboxylate
CID 167790006
2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530400
3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride
CID 119951973
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride (CID 119877312) is (2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride is C[C@@H](N)C(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride?
The InChIKey is CKEGWCAGXQALDL-YQFADDPSSA-N. The full InChI is InChI=1S/C13H22N6O2.2ClH/c1-10(14)13(21)16-11-7-15-19(8-11)9-12(20)18-5-3-17(2)4-6-18;;/h7-8,10H,3-6,9,14H2,1-2H3,(H,16,21);2*1H/t10-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride?
(2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride has a molecular weight of 367.28 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119877312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).