3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide

C19H20FN5O2 — CID 91760330

IUPAC3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCn1cc(C(NC(=O)c2cc(-c3ccccc3F)n[nH]2)C2CC(O)C2)cn1
InChIInChI=1S/C19H20FN5O2/c1-25-10-12(9-21-25)18(11-6-13(26)7-11)22-19(27)17-8-16(23-24-17)14-4-2-3-5-15(14)20/h2-5,8-11,13,18,26H,6-7H2,1H3,(H,22,27)(H,23,24)
InChIKeyWEYUGTDRUJVNHM-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.19
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide

3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 91760330) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID91760330
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCn1cc(C(NC(=O)c2cc(-c3ccccc3F)n[nH]2)C2CC(O)C2)cn1
InChIInChI=1S/C19H20FN5O2/c1-25-10-12(9-21-25)18(11-6-13(26)7-11)22-19(27)17-8-16(23-24-17)14-4-2-3-5-15(14)20/h2-5,8-11,13,18,26H,6-7H2,1H3,(H,22,27)(H,23,24)
InChIKeyWEYUGTDRUJVNHM-UHFFFAOYSA-N
XLogP2.19
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide (CID 91760330) is 3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is Cn1cc(C(NC(=O)c2cc(-c3ccccc3F)n[nH]2)C2CC(O)C2)cn1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WEYUGTDRUJVNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-25-10-12(9-21-25)18(11-6-13(26)7-11)22-19(27)17-8-16(23-24-17)14-4-2-3-5-15(14)20/h2-5,8-11,13,18,26H,6-7H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide?
3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91760330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).