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N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

C22H18FN5O2 — CID 122263029

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2cc(-c3ccc(F)cc3)ncn2)[nH]n1
InChIInChI=1S/C22H18FN5O2/c1-30-21-5-3-2-4-17(21)19-11-20(28-27-19)22(29)24-12-16-10-18(26-13-25-16)14-6-8-15(23)9-7-14/h2-11,13H,12H2,1H3,(H,24,29)(H,27,28)
InChIKeyRPRLHPNUMZBMII-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.61
Rot. Bonds6

About N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 122263029) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID122263029
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2cc(-c3ccc(F)cc3)ncn2)[nH]n1
InChIInChI=1S/C22H18FN5O2/c1-30-21-5-3-2-4-17(21)19-11-20(28-27-19)22(29)24-12-16-10-18(26-13-25-16)14-6-8-15(23)9-7-14/h2-11,13H,12H2,1H3,(H,24,29)(H,27,28)
InChIKeyRPRLHPNUMZBMII-UHFFFAOYSA-N
XLogP3.61
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 122263029) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2cc(-c3ccc(F)cc3)ncn2)[nH]n1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RPRLHPNUMZBMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-30-21-5-3-2-4-17(21)19-11-20(28-27-19)22(29)24-12-16-10-18(26-13-25-16)14-6-8-15(23)9-7-14/h2-11,13H,12H2,1H3,(H,24,29)(H,27,28).
What are the key properties of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 403.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122263029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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