N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide

C15H17BrN4O — CID 95296029

IUPACN-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H17BrN4O/c1-10-14(8-17-19-10)15(21)18-12-6-7-20(9-12)13-4-2-11(16)3-5-13/h2-5,8,12H,6-7,9H2,1H3,(H,17,19)(H,18,21)/t12-/m1/s1
InChIKeySDQLAQFZXSGIBJ-GFCCVEGCSA-N
MW349.23 g/mol
LogP2.49
Rot. Bonds3

About N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 95296029) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID95296029
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H17BrN4O/c1-10-14(8-17-19-10)15(21)18-12-6-7-20(9-12)13-4-2-11(16)3-5-13/h2-5,8,12H,6-7,9H2,1H3,(H,17,19)(H,18,21)/t12-/m1/s1
InChIKeySDQLAQFZXSGIBJ-GFCCVEGCSA-N
XLogP2.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 97214039
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N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71918106
N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066371
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 63999078
2-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]acetamide
CID 119876264
N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119876236
5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
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1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-cyclobutyl-2-methylguanidine
CID 119153985
3-amino-N-[1-(4-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119876240
3-[[[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]-(ethylamino)methylidene]amino]-N-propylpropanamide
CID 111917879
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-[2-(2-methoxyethoxy)ethyl]-2-methylguanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide (CID 95296029) is N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1.
What is the InChIKey of N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is SDQLAQFZXSGIBJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-10-14(8-17-19-10)15(21)18-12-6-7-20(9-12)13-4-2-11(16)3-5-13/h2-5,8,12H,6-7,9H2,1H3,(H,17,19)(H,18,21)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95296029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).