N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide

C17H18ClN3O — CID 164939962

IUPACN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C17H18ClN3O/c1-21-16(9-15(20-21)10-2-3-10)17(22)19-14-7-4-11-8-12(18)5-6-13(11)14/h5-6,8-10,14H,2-4,7H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyNZNXXCPAJGTRSK-CQSZACIVSA-N
MW315.80 g/mol
LogP3.37
Rot. Bonds3

About N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide

N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide (PubChem CID 164939962) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
PubChem CID164939962
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C2CC2)cc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21
InChIInChI=1S/C17H18ClN3O/c1-21-16(9-15(20-21)10-2-3-10)17(22)19-14-7-4-11-8-12(18)5-6-13(11)14/h5-6,8-10,14H,2-4,7H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyNZNXXCPAJGTRSK-CQSZACIVSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide with MolForge

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Related Compounds

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N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
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CID 51092567
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CID 119300808
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CID 71689682
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CID 52740733
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CID 95232865
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate
CID 155718328
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-chloro-2-methylbenzamide
CID 82870824
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide (CID 164939962) is N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide is Cn1nc(C2CC2)cc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21.
What is the InChIKey of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
The InChIKey is NZNXXCPAJGTRSK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-21-16(9-15(20-21)10-2-3-10)17(22)19-14-7-4-11-8-12(18)5-6-13(11)14/h5-6,8-10,14H,2-4,7H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide?
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 164939962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).