8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide

C18H30N4O — CID 118743162

IUPAC8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide
SMILESCC(C)NC(=O)C1CCC2(CCN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C18H30N4O/c1-14(2)20-17(23)16-4-5-18(10-16)6-8-22(9-7-18)13-15-11-19-21(3)12-15/h11-12,14,16H,4-10,13H2,1-3H3,(H,20,23)
InChIKeyKPFBRMRCSPOHSJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.33
Rot. Bonds4

About 8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide

8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 118743162) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID118743162
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide
SMILESCC(C)NC(=O)C1CCC2(CCN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C18H30N4O/c1-14(2)20-17(23)16-4-5-18(10-16)6-8-22(9-7-18)13-15-11-19-21(3)12-15/h11-12,14,16H,4-10,13H2,1-3H3,(H,20,23)
InChIKeyKPFBRMRCSPOHSJ-UHFFFAOYSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclohexanecarboxamide
CID 1246452
1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817519
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 39854803
(4aS*,8aR*)-6-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(piperidin-4-ylmethyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 56908199
8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908370
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
3-(1-methyl-2-piperidinyl)-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]propanamide
CID 72940670
Cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84587817
N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide
CID 118743154
N-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide
CID 118743160
3-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3,9-diazaspiro[5.5]undecane
CID 56863973

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide (CID 118743162) is 8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide is CC(C)NC(=O)C1CCC2(CCN(Cc3cnn(C)c3)CC2)C1.
What is the InChIKey of 8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is KPFBRMRCSPOHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14(2)20-17(23)16-4-5-18(10-16)6-8-22(9-7-18)13-15-11-19-21(3)12-15/h11-12,14,16H,4-10,13H2,1-3H3,(H,20,23).
What are the key properties of 8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide?
8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 118743162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).