N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide

C12H17N3O — CID 71808534

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide
SMILESCn1nc(CNC(=O)C2CC2)cc1C1CC1
InChIInChI=1S/C12H17N3O/c1-15-11(8-2-3-8)6-10(14-15)7-13-12(16)9-4-5-9/h6,8-9H,2-5,7H2,1H3,(H,13,16)
InChIKeyNUOWDLHEZWJOSE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.32
Rot. Bonds4

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide (PubChem CID 71808534) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide
PubChem CID71808534
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide
SMILESCn1nc(CNC(=O)C2CC2)cc1C1CC1
InChIInChI=1S/C12H17N3O/c1-15-11(8-2-3-8)6-10(14-15)7-13-12(16)9-4-5-9/h6,8-9H,2-5,7H2,1H3,(H,13,16)
InChIKeyNUOWDLHEZWJOSE-UHFFFAOYSA-N
XLogP1.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 3153925
CID 3153925
CID 891733
CID 891733
CID 893028
CID 893028
CID 118433286
CID 118433286
CID 5004965
CID 5004965
CID 33781805
CID 33781805
CID 51075402
CID 51075402
CID 53618213
CID 53618213
CID 71808537
CID 71808537
CID 71808540
CID 71808540
CID 71808546
CID 71808546
CID 71808566
CID 71808566

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide (CID 71808534) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide is Cn1nc(CNC(=O)C2CC2)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide?
The InChIKey is NUOWDLHEZWJOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15-11(8-2-3-8)6-10(14-15)7-13-12(16)9-4-5-9/h6,8-9H,2-5,7H2,1H3,(H,13,16).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 71808534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).