N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide

C15H20N6O — CID 124976141

IUPACN-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ncc(CNC(=O)c2ccn[nH]2)c([C@@H]2CCCN2C)n1
InChIInChI=1S/C15H20N6O/c1-10-16-8-11(9-17-15(22)12-5-6-18-20-12)14(19-10)13-4-3-7-21(13)2/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,17,22)(H,18,20)/t13-/m0/s1
InChIKeyLDFYZPYPANJNFD-ZDUSSCGKSA-N
MW300.37 g/mol
LogP1.20
Rot. Bonds4

About N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide

N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 124976141) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID124976141
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESCc1ncc(CNC(=O)c2ccn[nH]2)c([C@@H]2CCCN2C)n1
InChIInChI=1S/C15H20N6O/c1-10-16-8-11(9-17-15(22)12-5-6-18-20-12)14(19-10)13-4-3-7-21(13)2/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,17,22)(H,18,20)/t13-/m0/s1
InChIKeyLDFYZPYPANJNFD-ZDUSSCGKSA-N
XLogP1.20
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide (CID 124976141) is N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide is Cc1ncc(CNC(=O)c2ccn[nH]2)c([C@@H]2CCCN2C)n1.
What is the InChIKey of N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is LDFYZPYPANJNFD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-16-8-11(9-17-15(22)12-5-6-18-20-12)14(19-10)13-4-3-7-21(13)2/h5-6,8,13H,3-4,7,9H2,1-2H3,(H,17,22)(H,18,20)/t13-/m0/s1.
What are the key properties of N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 124976141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).