2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide

C15H20N8O2 — CID 95151795

IUPAC2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1
InChIInChI=1S/C15H20N8O2/c16-13(24)10-23-9-12(7-19-23)21-15(25)20-11-3-1-6-22(8-11)14-17-4-2-5-18-14/h2,4-5,7,9,11H,1,3,6,8,10H2,(H2,16,24)(H2,20,21,25)/t11-/m0/s1
InChIKeyXBNOPNRMTWWQIQ-NSHDSACASA-N
MW344.38 g/mol
LogP-0.05
Rot. Bonds5

About 2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide

2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide (PubChem CID 95151795) has the molecular formula C15H20N8O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide
PubChem CID95151795
Molecular FormulaC15H20N8O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1
InChIInChI=1S/C15H20N8O2/c16-13(24)10-23-9-12(7-19-23)21-15(25)20-11-3-1-6-22(8-11)14-17-4-2-5-18-14/h2,4-5,7,9,11H,1,3,6,8,10H2,(H2,16,24)(H2,20,21,25)/t11-/m0/s1
InChIKeyXBNOPNRMTWWQIQ-NSHDSACASA-N
XLogP-0.05
TPSA131.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide 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

2-[4-(cycloheptylamino)pyrazol-1-yl]acetamide
CID 43695123
1-[(3S)-1-phenylpyrrolidin-3-yl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 124507997
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94124298
(3R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95141524
2-[4-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95151390
1-[4-(5-methyltetrazol-1-yl)phenyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 125161705
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)urea
CID 47200421
N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
CID 51089111
N-[4-fluoro-3-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]phenyl]propanamide
CID 97438128
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55809666
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide (CID 95151795) is 2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)cn1.
What is the InChIKey of 2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide?
The InChIKey is XBNOPNRMTWWQIQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N8O2/c16-13(24)10-23-9-12(7-19-23)21-15(25)20-11-3-1-6-22(8-11)14-17-4-2-5-18-14/h2,4-5,7,9,11H,1,3,6,8,10H2,(H2,16,24)(H2,20,21,25)/t11-/m0/s1.
What are the key properties of 2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide?
2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide has a molecular weight of 344.38 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]carbamoylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 95151795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).