(5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide

C18H31N5O — CID 164630927

IUPAC(5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide
SMILESCCCCn1ncc(NC(=O)N2CCC[C@@]23CCNC3)c1C(C)C
InChIInChI=1S/C18H31N5O/c1-4-5-11-23-16(14(2)3)15(12-20-23)21-17(24)22-10-6-7-18(22)8-9-19-13-18/h12,14,19H,4-11,13H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyBDPSUPVLUSNOIG-SFHVURJKSA-N
MW333.48 g/mol
LogP3.17
Rot. Bonds5

About (5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide

(5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide (PubChem CID 164630927) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is (5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide.

Molecular Properties

Compound Name(5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide
PubChem CID164630927
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name(5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide
SMILESCCCCn1ncc(NC(=O)N2CCC[C@@]23CCNC3)c1C(C)C
InChIInChI=1S/C18H31N5O/c1-4-5-11-23-16(14(2)3)15(12-20-23)21-17(24)22-10-6-7-18(22)8-9-19-13-18/h12,14,19H,4-11,13H2,1-3H3,(H,21,24)/t18-/m0/s1
InChIKeyBDPSUPVLUSNOIG-SFHVURJKSA-N
XLogP3.17
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]urea
CID 72864285
N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide
CID 124848296
3-cyano-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methylazetidine-1-carboxamide
CID 128404468
1-(2-Fluoroethyl)-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 132384581
1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]methyl]urea
CID 132397447
1-[2-(3,3-Dimethylpyrrolidin-1-yl)ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 138025189
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138025197
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[[(1S,2S)-2-(trifluoromethyl)cyclopropyl]methyl]urea
CID 164629892
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[2-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]ethyl]urea
CID 164633933
(3S,4R)-3-acetamido-4-(2-methylpyrazol-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 164635436
N-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 164637945
(3S)-N-[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-3-methyl-4-oxopiperidine-1-carboxamide
CID 164641706

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide?
The IUPAC name of (5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide (CID 164630927) is (5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide.
What is the SMILES notation for (5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide?
The canonical SMILES for (5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide is CCCCn1ncc(NC(=O)N2CCC[C@@]23CCNC3)c1C(C)C.
What is the InChIKey of (5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide?
The InChIKey is BDPSUPVLUSNOIG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H31N5O/c1-4-5-11-23-16(14(2)3)15(12-20-23)21-17(24)22-10-6-7-18(22)8-9-19-13-18/h12,14,19H,4-11,13H2,1-3H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide?
(5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(1-butyl-5-propan-2-ylpyrazol-4-yl)-1,7-diazaspiro[4.4]nonane-1-carboxamide is sourced from PubChem (CID 164630927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).