N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide

C19H26N4O2 — CID 129401216

IUPACN-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(N2CC[C@H](CNC(=O)c3cnn(C(C)C)c3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-14(2)23-13-16(11-21-23)19(24)20-10-15-7-8-22(12-15)17-5-4-6-18(9-17)25-3/h4-6,9,11,13-15H,7-8,10,12H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyNLNIQCVJSANWBZ-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.73
Rot. Bonds6

About N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 129401216) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID129401216
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1cccc(N2CC[C@H](CNC(=O)c3cnn(C(C)C)c3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-14(2)23-13-16(11-21-23)19(24)20-10-15-7-8-22(12-15)17-5-4-6-18(9-17)25-3/h4-6,9,11,13-15H,7-8,10,12H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyNLNIQCVJSANWBZ-OAHLLOKOSA-N
XLogP2.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 122136877
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 95315493
3,3-dicyclopropyl-N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide
CID 94821491
1-(dicyclopropylmethyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300449
3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122000111
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
tert-butyl N-[(2S)-5-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]-5-oxopentan-2-yl]carbamate
CID 100654368
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119871037
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 86969971
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95285621
1-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 98760898
1-(4-hydroxycyclohexyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 129401216) is N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide is COc1cccc(N2CC[C@H](CNC(=O)c3cnn(C(C)C)c3)C2)c1.
What is the InChIKey of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is NLNIQCVJSANWBZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)23-13-16(11-21-23)19(24)20-10-15-7-8-22(12-15)17-5-4-6-18(9-17)25-3/h4-6,9,11,13-15H,7-8,10,12H2,1-3H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 129401216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).