[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

C18H19N5O2 — CID 95230843

IUPAC[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC[C@H](n4ccnc4)C3)[nH]n2)cc1
InChIInChI=1S/C18H19N5O2/c1-25-15-4-2-13(3-5-15)16-10-17(21-20-16)18(24)22-8-6-14(11-22)23-9-7-19-12-23/h2-5,7,9-10,12,14H,6,8,11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyAIQAKMUTLNYGGN-AWEZNQCLSA-N
MW337.38 g/mol
LogP2.37
Rot. Bonds4

About [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone

[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 95230843) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID95230843
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC[C@H](n4ccnc4)C3)[nH]n2)cc1
InChIInChI=1S/C18H19N5O2/c1-25-15-4-2-13(3-5-15)16-10-17(21-20-16)18(24)22-8-6-14(11-22)23-9-7-19-12-23/h2-5,7,9-10,12,14H,6,8,11H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyAIQAKMUTLNYGGN-AWEZNQCLSA-N
XLogP2.37
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 95230843) is [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is COc1ccc(-c2cc(C(=O)N3CC[C@H](n4ccnc4)C3)[nH]n2)cc1.
What is the InChIKey of [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is AIQAKMUTLNYGGN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-15-4-2-13(3-5-15)16-10-17(21-20-16)18(24)22-8-6-14(11-22)23-9-7-19-12-23/h2-5,7,9-10,12,14H,6,8,11H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone?
[(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-imidazol-1-ylpyrrolidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 95230843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).