[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone

C14H19N5O — CID 95342850

IUPAC[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cnc[nH]2)n1
InChIInChI=1S/C14H19N5O/c1-10-6-11(2)19(17-10)8-12-4-3-5-18(12)14(20)13-7-15-9-16-13/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyFUQLQPJZHPTCNP-LBPRGKRZSA-N
MW273.34 g/mol
LogP1.53
Rot. Bonds3

About [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone

[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone (PubChem CID 95342850) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
PubChem CID95342850
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cnc[nH]2)n1
InChIInChI=1S/C14H19N5O/c1-10-6-11(2)19(17-10)8-12-4-3-5-18(12)14(20)13-7-15-9-16-13/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16)/t12-/m0/s1
InChIKeyFUQLQPJZHPTCNP-LBPRGKRZSA-N
XLogP1.53
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924280
6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923445
3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607686
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 95606027
3-chloro-5-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 56779568
(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56780200
[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95606144
5-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 95350716
1H-imidazol-5-yl-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 97085040
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351800
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605928

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
The IUPAC name of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone (CID 95342850) is [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone is Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cnc[nH]2)n1.
What is the InChIKey of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
The InChIKey is FUQLQPJZHPTCNP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-6-11(2)19(17-10)8-12-4-3-5-18(12)14(20)13-7-15-9-16-13/h6-7,9,12H,3-5,8H2,1-2H3,(H,15,16)/t12-/m0/s1.
What are the key properties of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone?
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone is sourced from PubChem (CID 95342850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).