N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide

C17H17FN6O2 — CID 56757672

IUPACN-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cnc(N)nc1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H17FN6O2/c1-24(9-11-7-20-17(19)21-8-11)16(25)15-6-13(22-23-15)10-26-14-4-2-3-12(18)5-14/h2-8H,9-10H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyDVOBNHVPLPFREP-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.77
Rot. Bonds6

About N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide

N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 56757672) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID56757672
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC NameN-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cnc(N)nc1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1
InChIInChI=1S/C17H17FN6O2/c1-24(9-11-7-20-17(19)21-8-11)16(25)15-6-13(22-23-15)10-26-14-4-2-3-12(18)5-14/h2-8H,9-10H2,1H3,(H,22,23)(H2,19,20,21)
InChIKeyDVOBNHVPLPFREP-UHFFFAOYSA-N
XLogP1.77
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 95559001
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 56747947
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42595611
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide
CID 56750390
N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 78880562
N-[(2,3-dimethylphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56755562
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42290375
5-[(3-fluorophenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56739083
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 25341933
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95191517
5-[(2-fluorophenoxy)methyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56744907
5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 56740922

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 56757672) is N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide is CN(Cc1cnc(N)nc1)C(=O)c1cc(COc2cccc(F)c2)[nH]n1.
What is the InChIKey of N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is DVOBNHVPLPFREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-24(9-11-7-20-17(19)21-8-11)16(25)15-6-13(22-23-15)10-26-14-4-2-3-12(18)5-14/h2-8H,9-10H2,1H3,(H,22,23)(H2,19,20,21).
What are the key properties of N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56757672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).