(3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H30N4O3 — CID 95893616

IUPAC(3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCc1cc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(CCC)C3)n[nH]1
InChIInChI=1S/C19H30N4O3/c1-3-5-14-11-15(21-20-14)17(24)22-9-6-19(7-10-22)12-16(18(25)26)23(13-19)8-4-2/h11,16H,3-10,12-13H2,1-2H3,(H,20,21)(H,25,26)/t16-/m0/s1
InChIKeyMFRIKKSZVFZRCF-INIZCTEOSA-N
MW362.47 g/mol
LogP2.15
Rot. Bonds6

About (3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95893616) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95893616
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCc1cc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(CCC)C3)n[nH]1
InChIInChI=1S/C19H30N4O3/c1-3-5-14-11-15(21-20-14)17(24)22-9-6-19(7-10-22)12-16(18(25)26)23(13-19)8-4-2/h11,16H,3-10,12-13H2,1-2H3,(H,20,21)(H,25,26)/t16-/m0/s1
InChIKeyMFRIKKSZVFZRCF-INIZCTEOSA-N
XLogP2.15
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70725662
(3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95868038
(3R)-2-propyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897333
(3S)-2-propyl-8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95888767
(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95880584
(3S)-2-propyl-8-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95868514
8-(2-methylpyrimidine-5-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56903968
(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
CID 56745703
2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70714171
(3S)-8-(2,5-dimethylfuran-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95874960
(3S)-8-(3-hydroxybenzoyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95861164
N,8-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56894308

Frequently Asked Questions

What is the IUPAC name of (3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95893616) is (3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCc1cc(C(=O)N2CCC3(CC2)C[C@@H](C(=O)O)N(CCC)C3)n[nH]1.
What is the InChIKey of (3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is MFRIKKSZVFZRCF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-3-5-14-11-15(21-20-14)17(24)22-9-6-19(7-10-22)12-16(18(25)26)23(13-19)8-4-2/h11,16H,3-10,12-13H2,1-2H3,(H,20,21)(H,25,26)/t16-/m0/s1.
What are the key properties of (3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95893616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).