N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide

C21H24N4O — CID 154770271

IUPACN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide
SMILESO=C(Nc1cnn(CC2CC2)c1)N1CC2(CC=CC2)C1c1ccccc1
InChIInChI=1S/C21H24N4O/c26-20(23-18-12-22-24(14-18)13-16-8-9-16)25-15-21(10-4-5-11-21)19(25)17-6-2-1-3-7-17/h1-7,12,14,16,19H,8-11,13,15H2,(H,23,26)
InChIKeyPHIYAGYKXXBHIK-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.22
Rot. Bonds4

About N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide

N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide (PubChem CID 154770271) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide
PubChem CID154770271
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide
SMILESO=C(Nc1cnn(CC2CC2)c1)N1CC2(CC=CC2)C1c1ccccc1
InChIInChI=1S/C21H24N4O/c26-20(23-18-12-22-24(14-18)13-16-8-9-16)25-15-21(10-4-5-11-21)19(25)17-6-2-1-3-7-17/h1-7,12,14,16,19H,8-11,13,15H2,(H,23,26)
InChIKeyPHIYAGYKXXBHIK-UHFFFAOYSA-N
XLogP4.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide
CID 154770480
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
isoquinolin-4-yl-(3-phenyl-2-azaspiro[3.4]oct-6-en-2-yl)methanone
CID 166371302
cyclopropylmethyl-[(1R,2S)-2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304410
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 118304860
[2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118305146
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(furan-2-yl)propanamide
CID 95749314
1-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]urea
CID 154789903

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide (CID 154770271) is N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide is O=C(Nc1cnn(CC2CC2)c1)N1CC2(CC=CC2)C1c1ccccc1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide?
The InChIKey is PHIYAGYKXXBHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-20(23-18-12-22-24(14-18)13-16-8-9-16)25-15-21(10-4-5-11-21)19(25)17-6-2-1-3-7-17/h1-7,12,14,16,19H,8-11,13,15H2,(H,23,26).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide?
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide is sourced from PubChem (CID 154770271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).