N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

C14H18N6O2 — CID 110272292

IUPACN-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1C(=O)Cn1cccn1
InChIInChI=1S/C14H18N6O2/c1-15-14(22)10-8-16-18-13(10)11-4-2-7-20(11)12(21)9-19-6-3-5-17-19/h3,5-6,8,11H,2,4,7,9H2,1H3,(H,15,22)(H,16,18)
InChIKeyKHULQBFMORFNOP-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.33
Rot. Bonds4

About N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 110272292) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID110272292
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC NameN-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1C(=O)Cn1cccn1
InChIInChI=1S/C14H18N6O2/c1-15-14(22)10-8-16-18-13(10)11-4-2-7-20(11)12(21)9-19-6-3-5-17-19/h3,5-6,8,11H,2,4,7,9H2,1H3,(H,15,22)(H,16,18)
InChIKeyKHULQBFMORFNOP-UHFFFAOYSA-N
XLogP0.33
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110272256
1-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110272293
N-methyl-5-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110272277
N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 95848415
N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110272260
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone
CID 42886235
5-[(2S)-1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95826977
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 61410629
1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95824362
5-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259110
N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247400
1-[2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110121023

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (CID 110272292) is N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C1CCCN1C(=O)Cn1cccn1.
What is the InChIKey of N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is KHULQBFMORFNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-15-14(22)10-8-16-18-13(10)11-4-2-7-20(11)12(21)9-19-6-3-5-17-19/h3,5-6,8,11H,2,4,7,9H2,1H3,(H,15,22)(H,16,18).
What are the key properties of N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110272292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).