3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide

C14H24N6O2 — CID 119877317

IUPAC3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide
SMILESCC(N)CC(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H24N6O2/c1-11(15)7-13(21)17-12-8-16-20(9-12)10-14(22)19-5-3-18(2)4-6-19/h8-9,11H,3-7,10,15H2,1-2H3,(H,17,21)
InChIKeyKSLRXGHETDEASX-UHFFFAOYSA-N
MW308.39 g/mol
LogP-0.67
Rot. Bonds5

About 3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide

3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide (PubChem CID 119877317) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide
PubChem CID119877317
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide
SMILESCC(N)CC(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H24N6O2/c1-11(15)7-13(21)17-12-8-16-20(9-12)10-14(22)19-5-3-18(2)4-6-19/h8-9,11H,3-7,10,15H2,1-2H3,(H,17,21)
InChIKeyKSLRXGHETDEASX-UHFFFAOYSA-N
XLogP-0.67
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]propanamide;dihydrochloride
CID 119877312
3-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]-3-phenylpropanamide;hydrochloride
CID 119951973
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide;dihydrochloride
CID 119871220
methyl 2-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]amino]pyrimidine-5-carboxylate
CID 167790006
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
(2S)-2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-3-methylbutanamide
CID 119333433
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
N-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 146135268
2-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112530400
2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid
CID 55121256
3-amino-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 119902964
1-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 119333469

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide?
The IUPAC name of 3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide (CID 119877317) is 3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide?
The canonical SMILES for 3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide is CC(N)CC(=O)Nc1cnn(CC(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide?
The InChIKey is KSLRXGHETDEASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-11(15)7-13(21)17-12-8-16-20(9-12)10-14(22)19-5-3-18(2)4-6-19/h8-9,11H,3-7,10,15H2,1-2H3,(H,17,21).
What are the key properties of 3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide?
3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide has a molecular weight of 308.39 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-4-yl]butanamide is sourced from PubChem (CID 119877317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).