N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

C18H28N4O — CID 128633676

IUPACN-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)NCC3(C4CCC4)CCC3)C2)cn1
InChIInChI=1S/C18H28N4O/c1-21-11-15(10-20-21)14-6-9-22(12-14)17(23)19-13-18(7-3-8-18)16-4-2-5-16/h10-11,14,16H,2-9,12-13H2,1H3,(H,19,23)
InChIKeyNDVQNISKTCPTGL-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.89
Rot. Bonds4

About N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 128633676) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID128633676
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)NCC3(C4CCC4)CCC3)C2)cn1
InChIInChI=1S/C18H28N4O/c1-21-11-15(10-20-21)14-6-9-22(12-14)17(23)19-13-18(7-3-8-18)16-4-2-5-16/h10-11,14,16H,2-9,12-13H2,1H3,(H,19,23)
InChIKeyNDVQNISKTCPTGL-UHFFFAOYSA-N
XLogP2.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide
CID 136564061
(3S)-N-[(5-chlorothiophen-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124606796
3-(1-methylpyrazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 136530406
N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 128635077
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 124564619
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide
CID 119143792
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119157651
methyl 3-[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]propanoate
CID 111742283
N-cyclopropyl-2-[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]acetamide
CID 119143872
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclopentyl)methyl]pyrrolidine-1-carboximidamide
CID 111742967
N'-[[1-(dimethylamino)cyclopentyl]methyl]-N-ethyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119143775
3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136529661

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 128633676) is N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is Cn1cc(C2CCN(C(=O)NCC3(C4CCC4)CCC3)C2)cn1.
What is the InChIKey of N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is NDVQNISKTCPTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-21-11-15(10-20-21)14-6-9-22(12-14)17(23)19-13-18(7-3-8-18)16-4-2-5-16/h10-11,14,16H,2-9,12-13H2,1H3,(H,19,23).
What are the key properties of N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide?
N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128633676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).