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

C22H18FN5O2 — CID 122262925

IUPACN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cc(-c4ccc(F)cc4)ncn3)[nH]n2)c1
InChIInChI=1S/C22H18FN5O2/c1-30-18-4-2-3-15(9-18)20-11-21(28-27-20)22(29)24-12-17-10-19(26-13-25-17)14-5-7-16(23)8-6-14/h2-11,13H,12H2,1H3,(H,24,29)(H,27,28)
InChIKeyXHQZQPNJIIGKBV-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.61
Rot. Bonds6

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

N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 122262925) 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-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID122262925
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC NameN-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cc(-c4ccc(F)cc4)ncn3)[nH]n2)c1
InChIInChI=1S/C22H18FN5O2/c1-30-18-4-2-3-15(9-18)20-11-21(28-27-20)22(29)24-12-17-10-19(26-13-25-17)14-5-7-16(23)8-6-14/h2-11,13H,12H2,1H3,(H,24,29)(H,27,28)
InChIKeyXHQZQPNJIIGKBV-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-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 122262925) is N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCc3cc(-c4ccc(F)cc4)ncn3)[nH]n2)c1.
What is the InChIKey of N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XHQZQPNJIIGKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-30-18-4-2-3-15(9-18)20-11-21(28-27-20)22(29)24-12-17-10-19(26-13-25-17)14-5-7-16(23)8-6-14/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-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-3-(3-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-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122262925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).