(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone

C19H33N5O — CID 56756865

IUPAC(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)c(C)n1
InChIInChI=1S/C19H33N5O/c1-5-9-24-14-17(16(2)20-24)18(25)23-11-6-10-22(4)19(15-23)7-12-21(3)13-8-19/h14H,5-13,15H2,1-4H3
InChIKeySUUJAAXSAKXBBW-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.84
Rot. Bonds3

About (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone

(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone (PubChem CID 56756865) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
PubChem CID56756865
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)c(C)n1
InChIInChI=1S/C19H33N5O/c1-5-9-24-14-17(16(2)20-24)18(25)23-11-6-10-22(4)19(15-23)7-12-21(3)13-8-19/h14H,5-13,15H2,1-4H3
InChIKeySUUJAAXSAKXBBW-UHFFFAOYSA-N
XLogP1.84
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 138807598
(5S)-3-methyl-9-(3-methyl-1-propylpyrazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95728756
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 56750719
1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carbonitrile
CID 72939176
3-methyl-1-propylpyrazole-4-carbonyl chloride
CID 15616731
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 56744173
4-[(3S)-1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97205330
4-[(3R)-1-(3-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97205329
2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817402
(3-methyl-1-propylpyrazol-4-yl)-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 72903177
(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)methanone
CID 56760017
1-(azepan-1-yl)-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)butane-1,4-dione
CID 56755352

Frequently Asked Questions

What is the IUPAC name of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone (CID 56756865) is (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)N2CCCN(C)C3(CCN(C)CC3)C2)c(C)n1.
What is the InChIKey of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is SUUJAAXSAKXBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-5-9-24-14-17(16(2)20-24)18(25)23-11-6-10-22(4)19(15-23)7-12-21(3)13-8-19/h14H,5-13,15H2,1-4H3.
What are the key properties of (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone?
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 347.51 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(3-methyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 56756865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).