N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide

C17H28N4O2 — CID 128737521

IUPACN-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
SMILESCOCC1CCC(NC(=O)N2CCC(n3cc(C)cn3)C2)CC1
InChIInChI=1S/C17H28N4O2/c1-13-9-18-21(10-13)16-7-8-20(11-16)17(22)19-15-5-3-14(4-6-15)12-23-2/h9-10,14-16H,3-8,11-12H2,1-2H3,(H,19,22)
InChIKeyITMDNFKTKADTPI-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.35
Rot. Bonds4

About N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide

N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 128737521) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
PubChem CID128737521
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
SMILESCOCC1CCC(NC(=O)N2CCC(n3cc(C)cn3)C2)CC1
InChIInChI=1S/C17H28N4O2/c1-13-9-18-21(10-13)16-7-8-20(11-16)17(22)19-15-5-3-14(4-6-15)12-23-2/h9-10,14-16H,3-8,11-12H2,1-2H3,(H,19,22)
InChIKeyITMDNFKTKADTPI-UHFFFAOYSA-N
XLogP2.35
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 126946761
1-[3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 136543837
N-(2-cyclopropylpyrazol-3-yl)-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
CID 167758528
[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606757
4-(4-chloropyrazol-1-yl)-N-(4-hydroxycyclohexyl)piperidine-1-carboxamide
CID 110018779
N-[4-(methoxymethyl)cyclohexyl]-4-pyrimidin-4-ylpiperidine-1-carboxamide
CID 128737509
3-(4-chloropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 167779567
N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 166202868
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 126947144
1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
CID 95804209
(2-methyl-1,3-oxazol-4-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947235

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide (CID 128737521) is N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide is COCC1CCC(NC(=O)N2CCC(n3cc(C)cn3)C2)CC1.
What is the InChIKey of N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is ITMDNFKTKADTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-9-18-21(10-13)16-7-8-20(11-16)17(22)19-15-5-3-14(4-6-15)12-23-2/h9-10,14-16H,3-8,11-12H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide?
N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)cyclohexyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128737521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).