(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C19H25N5O — CID 95720438

IUPAC(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1ccccc1-n1cccn1)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C19H25N5O/c25-18(16-12-19(14-22-16)6-9-20-10-7-19)21-13-15-4-1-2-5-17(15)24-11-3-8-23-24/h1-5,8,11,16,20,22H,6-7,9-10,12-14H2,(H,21,25)/t16-/m1/s1
InChIKeyZYCISQPAPLSURJ-MRXNPFEDSA-N
MW339.44 g/mol
LogP1.22
Rot. Bonds4

About (3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95720438) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95720438
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1ccccc1-n1cccn1)[C@H]1CC2(CCNCC2)CN1
InChIInChI=1S/C19H25N5O/c25-18(16-12-19(14-22-16)6-9-20-10-7-19)21-13-15-4-1-2-5-17(15)24-11-3-8-23-24/h1-5,8,11,16,20,22H,6-7,9-10,12-14H2,(H,21,25)/t16-/m1/s1
InChIKeyZYCISQPAPLSURJ-MRXNPFEDSA-N
XLogP1.22
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
(4S)-2-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]imidazolidine-4-carboxamide
CID 97080000
4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624401
(3S)-3-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 129466083
(3S)-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95716256
5-(2-hydroxyphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
CID 134080673
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95727726
(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95729625
N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154892684
3-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154893140
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895193

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95720438) is (3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCc1ccccc1-n1cccn1)[C@H]1CC2(CCNCC2)CN1.
What is the InChIKey of (3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is ZYCISQPAPLSURJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O/c25-18(16-12-19(14-22-16)6-9-20-10-7-19)21-13-15-4-1-2-5-17(15)24-11-3-8-23-24/h1-5,8,11,16,20,22H,6-7,9-10,12-14H2,(H,21,25)/t16-/m1/s1.
What are the key properties of (3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95720438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).