N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide

C18H20ClN5O — CID 172895572

IUPACN-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1ccn[nH]1)[C@H]1CCN(Cc2c(Cl)[nH]c3ccccc23)C1
InChIInChI=1S/C18H20ClN5O/c1-23(18(25)16-6-8-20-22-16)12-7-9-24(10-12)11-14-13-4-2-3-5-15(13)21-17(14)19/h2-6,8,12,21H,7,9-11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyWDNHEAGHRQVROO-LBPRGKRZSA-N
MW357.85 g/mol
LogP2.89
Rot. Bonds4

About N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide

N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 172895572) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID172895572
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC NameN-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1ccn[nH]1)[C@H]1CCN(Cc2c(Cl)[nH]c3ccccc23)C1
InChIInChI=1S/C18H20ClN5O/c1-23(18(25)16-6-8-20-22-16)12-7-9-24(10-12)11-14-13-4-2-3-5-15(13)21-17(14)19/h2-6,8,12,21H,7,9-11H2,1H3,(H,20,22)/t12-/m0/s1
InChIKeyWDNHEAGHRQVROO-LBPRGKRZSA-N
XLogP2.89
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 65066079
N-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 672567
3-[[4-(2,6-dimethylphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 11620349
N-[1-[3-[[4-(2-chloro-6-fluorophenyl)piperidin-1-yl]methyl]-1H-indole-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 24889636
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-cyclopropyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 70740053
N-(1-benzylpiperidin-3-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 75510961
N-[(2-amino-6-chlorophenyl)methyl]-N-[2-(3-hydroxypyrrolidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 130313155
4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131947858
N,N-dimethyl-3-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110091015
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-benzofuran-2-carboxylic acid
CID 63164375
5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259464
N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124861348

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide (CID 172895572) is N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide is CN(C(=O)c1ccn[nH]1)[C@H]1CCN(Cc2c(Cl)[nH]c3ccccc23)C1.
What is the InChIKey of N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is WDNHEAGHRQVROO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-23(18(25)16-6-8-20-22-16)12-7-9-24(10-12)11-14-13-4-2-3-5-15(13)21-17(14)19/h2-6,8,12,21H,7,9-11H2,1H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide?
N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 357.85 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2-chloro-1H-indol-3-yl)methyl]pyrrolidin-3-yl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 172895572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).