N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide

C15H18N4O2 — CID 60931820

IUPACN-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(NCc2cccc(O)c2)cn1)NC1CC1
InChIInChI=1S/C15H18N4O2/c20-14-3-1-2-11(6-14)7-16-13-8-17-19(9-13)10-15(21)18-12-4-5-12/h1-3,6,8-9,12,16,20H,4-5,7,10H2,(H,18,21)
InChIKeyKPDRFONNMSJACC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.48
Rot. Bonds6

About N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide

N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 60931820) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
PubChem CID60931820
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(NCc2cccc(O)c2)cn1)NC1CC1
InChIInChI=1S/C15H18N4O2/c20-14-3-1-2-11(6-14)7-16-13-8-17-19(9-13)10-15(21)18-12-4-5-12/h1-3,6,8-9,12,16,20H,4-5,7,10H2,(H,18,21)
InChIKeyKPDRFONNMSJACC-UHFFFAOYSA-N
XLogP1.48
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide (CID 60931820) is N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide is O=C(Cn1cc(NCc2cccc(O)c2)cn1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is KPDRFONNMSJACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14-3-1-2-11(6-14)7-16-13-8-17-19(9-13)10-15(21)18-12-4-5-12/h1-3,6,8-9,12,16,20H,4-5,7,10H2,(H,18,21).
What are the key properties of N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide?
N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(3-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 60931820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).