(6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C19H29N5O2 — CID 97190216

IUPAC(6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2ccn(C)n2)C[C@@]12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C19H29N5O2/c1-21-11-12-24(18(26)16-6-9-22(2)20-16)14-19(21)7-5-17(25)23(10-8-19)13-15-3-4-15/h6,9,15H,3-5,7-8,10-14H2,1-2H3/t19-/m0/s1
InChIKeyOAZBLFGCFBEQOF-IBGZPJMESA-N
MW359.47 g/mol
LogP0.97
Rot. Bonds3

About (6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97190216) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97190216
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCN1CCN(C(=O)c2ccn(C)n2)C[C@@]12CCC(=O)N(CC1CC1)CC2
InChIInChI=1S/C19H29N5O2/c1-21-11-12-24(18(26)16-6-9-22(2)20-16)14-19(21)7-5-17(25)23(10-8-19)13-15-3-4-15/h6,9,15H,3-5,7-8,10-14H2,1-2H3/t19-/m0/s1
InChIKeyOAZBLFGCFBEQOF-IBGZPJMESA-N
XLogP0.97
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
(4-Methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 39891793
2-[2-(dimethylamino)ethyl]-9-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850435
2-Cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72907096
[(2S,4S)-1-(2-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875996
[(2S,4S)-1-(1-ethylpyrazole-3-carbonyl)-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110875997
2-Ethyl-6-(1-methylpyrazole-3-carbonyl)-2,6-diazaspiro[4.5]decan-3-one
CID 118738748
(4aS,9aS)-1-ethyl-9a-methyl-5-[3-(5-methylpyrazol-1-yl)propanoyl]-4,4a,6,7,8,9-hexahydro-3H-pyrido[3,2-b]azepin-2-one
CID 118739986
(4aS,9aS)-1,9a-dimethyl-5-[3-(5-methylpyrazol-1-yl)propanoyl]-4,4a,6,7,8,9-hexahydro-3H-pyrido[3,2-b]azepin-2-one
CID 118739987
[8-(Cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 118744599
5-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)piperidine-4-carbonyl]-1,5-diazacycloundecan-2-one
CID 110201708
(1-Ethyl-3-pyrazolyl)piperidinomethanone
CID 25855597

Frequently Asked Questions

What is the IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97190216) is (6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is CN1CCN(C(=O)c2ccn(C)n2)C[C@@]12CCC(=O)N(CC1CC1)CC2.
What is the InChIKey of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is OAZBLFGCFBEQOF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N5O2/c1-21-11-12-24(18(26)16-6-9-22(2)20-16)14-19(21)7-5-17(25)23(10-8-19)13-15-3-4-15/h6,9,15H,3-5,7-8,10-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 359.47 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-10-(cyclopropylmethyl)-1-methyl-4-(1-methylpyrazole-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97190216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).