(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C18H23N5O — CID 95455811

IUPAC(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESNc1n[nH]c(C(=O)N2CCC[C@@]3(CCNC3)C2)c1-c1ccccc1
InChIInChI=1S/C18H23N5O/c19-16-14(13-5-2-1-3-6-13)15(21-22-16)17(24)23-10-4-7-18(12-23)8-9-20-11-18/h1-3,5-6,20H,4,7-12H2,(H3,19,21,22)/t18-/m0/s1
InChIKeyXZCDKKXHYPVLSZ-SFHVURJKSA-N
MW325.42 g/mol
LogP1.87
Rot. Bonds2

About (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone

(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 95455811) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID95455811
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESNc1n[nH]c(C(=O)N2CCC[C@@]3(CCNC3)C2)c1-c1ccccc1
InChIInChI=1S/C18H23N5O/c19-16-14(13-5-2-1-3-6-13)15(21-22-16)17(24)23-10-4-7-18(12-23)8-9-20-11-18/h1-3,5-6,20H,4,7-12H2,(H3,19,21,22)/t18-/m0/s1
InChIKeyXZCDKKXHYPVLSZ-SFHVURJKSA-N
XLogP1.87
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(5-phenylacetyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)benzamide
CID 10111728
US10022354, Example 183
CID 121279732
N-[6,6-dimethyl-5-(1-methylpiperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]benzamide
CID 9977141
N-[6,6-dimethyl-5-(piperidine-4-carbonyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-4-fluorobenzamide
CID 46228467
N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
CID 137638363
5-ethyl-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-methyl-1H-pyrazole-3-carboxamide
CID 24790080
N-[(3R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168276659
1-ethyl-3-[(3R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]urea
CID 168285629
1-methyl-3-[(3R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-1-propan-2-ylurea
CID 168290545
1,1-diethyl-3-[(3R)-1-(3-phenyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]urea
CID 168293676
4-(4-tert-butylphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 15990943
N-(1-benzylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20918275

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 95455811) is (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone is Nc1n[nH]c(C(=O)N2CCC[C@@]3(CCNC3)C2)c1-c1ccccc1.
What is the InChIKey of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is XZCDKKXHYPVLSZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N5O/c19-16-14(13-5-2-1-3-6-13)15(21-22-16)17(24)23-10-4-7-18(12-23)8-9-20-11-18/h1-3,5-6,20H,4,7-12H2,(H3,19,21,22)/t18-/m0/s1.
What are the key properties of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-phenyl-1H-pyrazol-5-yl)-[(5S)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 95455811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).