N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C16H25N5O2 — CID 91921476

IUPACN-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)Cn3cccn3)C2)CC1
InChIInChI=1S/C16H25N5O2/c1-17-16(23)19-8-3-13(4-9-19)14-5-10-20(11-14)15(22)12-21-7-2-6-18-21/h2,6-7,13-14H,3-5,8-12H2,1H3,(H,17,23)
InChIKeyYDRCHUOVGVJBSZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.78
Rot. Bonds3

About N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide

N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 91921476) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID91921476
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C2CCN(C(=O)Cn3cccn3)C2)CC1
InChIInChI=1S/C16H25N5O2/c1-17-16(23)19-8-3-13(4-9-19)14-5-10-20(11-14)15(22)12-21-7-2-6-18-21/h2,6-7,13-14H,3-5,8-12H2,1H3,(H,17,23)
InChIKeyYDRCHUOVGVJBSZ-UHFFFAOYSA-N
XLogP0.78
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Methyl-2-piperidin-1-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 47069469
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53590070
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53608123
8-methyl-2-propyl-N-(2-pyrazol-1-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882763
1-(2-(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 52906711
1-[2-(1H-pyrazol-1-yl)butanoyl]-4-(1-pyrrolidinylcarbonyl)piperidine
CID 70720146
N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 91921372
N-Methyl-4-{1-[3-(1H-pyrazol-1-YL)propanoyl]pyrrolidin-3-YL}piperidine-1-carboxamide
CID 91921475
4-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide
CID 91921477
N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 42211584
1-[4-[(1-Pyrazol-1-ylpropan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 53560969
1-(3,5-Dimethylpiperidin-1-yl)-2-(2-pyrazol-1-ylethylamino)ethanone
CID 72140755

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 91921476) is N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CNC(=O)N1CCC(C2CCN(C(=O)Cn3cccn3)C2)CC1.
What is the InChIKey of N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is YDRCHUOVGVJBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-17-16(23)19-8-3-13(4-9-19)14-5-10-20(11-14)15(22)12-21-7-2-6-18-21/h2,6-7,13-14H,3-5,8-12H2,1H3,(H,17,23).
What are the key properties of N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91921476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).