[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

C18H22N4O — CID 124952781

IUPAC[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cc1)N1CC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C18H22N4O/c23-18(22-12-8-15(13-22)17-7-9-19-20-17)14-3-5-16(6-4-14)21-10-1-2-11-21/h3-7,9,15H,1-2,8,10-13H2,(H,19,20)/t15-/m1/s1
InChIKeyDQXMDZAOHLHUPR-OAHLLOKOSA-N
MW310.40 g/mol
LogP2.64
Rot. Bonds3

About [(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 124952781) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID124952781
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccc(N2CCCC2)cc1)N1CC[C@@H](c2ccn[nH]2)C1
InChIInChI=1S/C18H22N4O/c23-18(22-12-8-15(13-22)17-7-9-19-20-17)14-3-5-16(6-4-14)21-10-1-2-11-21/h3-7,9,15H,1-2,8,10-13H2,(H,19,20)/t15-/m1/s1
InChIKeyDQXMDZAOHLHUPR-OAHLLOKOSA-N
XLogP2.64
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125001721
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124969122
(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124969462
pyrazin-2-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841608
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
[3-[4-(3-fluoropyrrolidin-1-yl)phenyl]azetidin-1-yl]-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 170636410
(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841745
morpholin-4-yl-[6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridinyl]methanone
CID 135118221
(3-amino-4-bromophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61110136
[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 110106016
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 124971246

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of [(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone (CID 124952781) is [(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for [(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for [(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is O=C(c1ccc(N2CCCC2)cc1)N1CC[C@@H](c2ccn[nH]2)C1.
What is the InChIKey of [(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is DQXMDZAOHLHUPR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(22-12-8-15(13-22)17-7-9-19-20-17)14-3-5-16(6-4-14)21-10-1-2-11-21/h3-7,9,15H,1-2,8,10-13H2,(H,19,20)/t15-/m1/s1.
What are the key properties of [(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 124952781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).