3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide

C16H19FN4O2 — CID 73212750

IUPAC3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)N(Cc2ccc(O)cc2F)CC2CCC2)[nH]n1
InChIInChI=1S/C16H19FN4O2/c17-13-6-12(22)5-4-11(13)9-21(8-10-2-1-3-10)16(23)14-7-15(18)20-19-14/h4-7,10,22H,1-3,8-9H2,(H3,18,19,20)
InChIKeySITWHZJEIPKUAS-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.28
Rot. Bonds5

About 3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide

3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 73212750) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID73212750
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)N(Cc2ccc(O)cc2F)CC2CCC2)[nH]n1
InChIInChI=1S/C16H19FN4O2/c17-13-6-12(22)5-4-11(13)9-21(8-10-2-1-3-10)16(23)14-7-15(18)20-19-14/h4-7,10,22H,1-3,8-9H2,(H3,18,19,20)
InChIKeySITWHZJEIPKUAS-UHFFFAOYSA-N
XLogP2.28
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide (CID 73212750) is 3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)N(Cc2ccc(O)cc2F)CC2CCC2)[nH]n1.
What is the InChIKey of 3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is SITWHZJEIPKUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-13-6-12(22)5-4-11(13)9-21(8-10-2-1-3-10)16(23)14-7-15(18)20-19-14/h4-7,10,22H,1-3,8-9H2,(H3,18,19,20).
What are the key properties of 3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 73212750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).