N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide

C15H21N7O — CID 122299220

IUPACN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cnc(N2CCN(C)CC2)nc1)n1cccn1
InChIInChI=1S/C15H21N7O/c1-12(22-5-3-4-18-22)14(23)19-13-10-16-15(17-11-13)21-8-6-20(2)7-9-21/h3-5,10-12H,6-9H2,1-2H3,(H,19,23)
InChIKeyQWFIFAROVJERPT-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.62
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide

N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide (PubChem CID 122299220) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide
PubChem CID122299220
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cnc(N2CCN(C)CC2)nc1)n1cccn1
InChIInChI=1S/C15H21N7O/c1-12(22-5-3-4-18-22)14(23)19-13-10-16-15(17-11-13)21-8-6-20(2)7-9-21/h3-5,10-12H,6-9H2,1-2H3,(H,19,23)
InChIKeyQWFIFAROVJERPT-UHFFFAOYSA-N
XLogP0.62
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrazol-1-ylpropanamide
CID 134048457
N-(1-methylpyrazol-4-yl)-2-pyrazol-1-ylpropanamide
CID 47187700
N-(6-amino-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 55130465
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(6-chloro-5-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113250420
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide
CID 91967980
(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106491100
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide (CID 122299220) is N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1cnc(N2CCN(C)CC2)nc1)n1cccn1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide?
The InChIKey is QWFIFAROVJERPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-12(22-5-3-4-18-22)14(23)19-13-10-16-15(17-11-13)21-8-6-20(2)7-9-21/h3-5,10-12H,6-9H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide?
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide has a molecular weight of 315.38 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 122299220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).