(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide

C15H20N6O — CID 95134540

IUPAC(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
SMILESC[C@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)n1cccn1
InChIInChI=1S/C15H20N6O/c1-12(21-10-4-8-18-21)14(22)19-13-5-2-9-20(11-13)15-16-6-3-7-17-15/h3-4,6-8,10,12-13H,2,5,9,11H2,1H3,(H,19,22)/t12-,13+/m1/s1
InChIKeyMOSWNCNQKCHXHI-OLZOCXBDSA-N
MW300.37 g/mol
LogP1.02
Rot. Bonds4

About (2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide

(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide (PubChem CID 95134540) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
PubChem CID95134540
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
SMILESC[C@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)n1cccn1
InChIInChI=1S/C15H20N6O/c1-12(21-10-4-8-18-21)14(22)19-13-5-2-9-20(11-13)15-16-6-3-7-17-15/h3-4,6-8,10,12-13H,2,5,9,11H2,1H3,(H,19,22)/t12-,13+/m1/s1
InChIKeyMOSWNCNQKCHXHI-OLZOCXBDSA-N
XLogP1.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273
3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
CID 120503187
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 65224744
(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
CID 61179360
N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide
CID 81424644
4-acetyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,4-diazepane-1-carboxamide
CID 94031653
4-[[(2R)-2-pyrazol-1-ylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 93329821
tert-butyl N-[(2R)-1-oxo-1-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]amino]propan-2-yl]carbamate
CID 94518257
N-piperidin-3-yl-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 119424500
3-[[(2S)-2-pyrazol-1-ylpropanoyl]amino]cyclobutane-1-carboxylic acid
CID 126439290

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide?
The IUPAC name of (2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide (CID 95134540) is (2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide?
The canonical SMILES for (2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide is C[C@H](C(=O)N[C@H]1CCCN(c2ncccn2)C1)n1cccn1.
What is the InChIKey of (2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide?
The InChIKey is MOSWNCNQKCHXHI-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H20N6O/c1-12(21-10-4-8-18-21)14(22)19-13-5-2-9-20(11-13)15-16-6-3-7-17-15/h3-4,6-8,10,12-13H,2,5,9,11H2,1H3,(H,19,22)/t12-,13+/m1/s1.
What are the key properties of (2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide?
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide has a molecular weight of 300.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide is sourced from PubChem (CID 95134540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).