N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide

C11H15N3O — CID 167750228

IUPACN-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC1(c2cc(NC(=O)C3CC3)n[nH]2)CC1
InChIInChI=1S/C11H15N3O/c1-11(4-5-11)8-6-9(14-13-8)12-10(15)7-2-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyOIGHOPUYWICKBH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.81
Rot. Bonds3

About N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide

N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 167750228) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID167750228
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC1(c2cc(NC(=O)C3CC3)n[nH]2)CC1
InChIInChI=1S/C11H15N3O/c1-11(4-5-11)8-6-9(14-13-8)12-10(15)7-2-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyOIGHOPUYWICKBH-UHFFFAOYSA-N
XLogP1.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide (CID 167750228) is N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide is CC1(c2cc(NC(=O)C3CC3)n[nH]2)CC1.
What is the InChIKey of N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is OIGHOPUYWICKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(4-5-11)8-6-9(14-13-8)12-10(15)7-2-3-7/h6-7H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide?
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167750228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).