(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone

C17H29N5O — CID 56745703

IUPAC(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC3(CC2)CN(C)CCN3C)n[nH]1
InChIInChI=1S/C17H29N5O/c1-4-5-14-12-15(19-18-14)16(23)22-8-6-17(7-9-22)13-20(2)10-11-21(17)3/h12H,4-11,13H2,1-3H3,(H,18,19)
InChIKeyGANWUTBLAZGPPN-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.21
Rot. Bonds3

About (1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone

(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone (PubChem CID 56745703) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is (1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
PubChem CID56745703
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone
SMILESCCCc1cc(C(=O)N2CCC3(CC2)CN(C)CCN3C)n[nH]1
InChIInChI=1S/C17H29N5O/c1-4-5-14-12-15(19-18-14)16(23)22-8-6-17(7-9-22)13-20(2)10-11-21(17)3/h12H,4-11,13H2,1-3H3,(H,18,19)
InChIKeyGANWUTBLAZGPPN-UHFFFAOYSA-N
XLogP1.21
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
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[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
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CID 42095149
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1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 78861980
[4-[(1S)-1-(4-methylphenyl)ethyl]piperazin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 51872024
[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 86824416
4-[[4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methyl]benzonitrile
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(5-propyl-1H-pyrazol-3-yl)-(4-pyridin-4-yloxypiperidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone (CID 56745703) is (1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone is CCCc1cc(C(=O)N2CCC3(CC2)CN(C)CCN3C)n[nH]1.
What is the InChIKey of (1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
The InChIKey is GANWUTBLAZGPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-4-5-14-12-15(19-18-14)16(23)22-8-6-17(7-9-22)13-20(2)10-11-21(17)3/h12H,4-11,13H2,1-3H3,(H,18,19).
What are the key properties of (1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone?
(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone has a molecular weight of 319.45 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-(5-propyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 56745703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).