2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide

C20H28N4O — CID 95193385

IUPAC2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NC[C@H]1CCN(Cc2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C20H28N4O/c1-20(2,3)19(25)21-11-15-9-10-24(13-15)14-17-12-22-23-18(17)16-7-5-4-6-8-16/h4-8,12,15H,9-11,13-14H2,1-3H3,(H,21,25)(H,22,23)/t15-/m1/s1
InChIKeyDCWVVKHDIDOJNN-OAHLLOKOSA-N
MW340.47 g/mol
LogP3.06
Rot. Bonds5

About 2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide

2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide (PubChem CID 95193385) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
PubChem CID95193385
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
SMILESCC(C)(C)C(=O)NC[C@H]1CCN(Cc2cn[nH]c2-c2ccccc2)C1
InChIInChI=1S/C20H28N4O/c1-20(2,3)19(25)21-11-15-9-10-24(13-15)14-17-12-22-23-18(17)16-7-5-4-6-8-16/h4-8,12,15H,9-11,13-14H2,1-3H3,(H,21,25)(H,22,23)/t15-/m1/s1
InChIKeyDCWVVKHDIDOJNN-OAHLLOKOSA-N
XLogP3.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide with MolForge

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Related Compounds

4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole
CID 45209601
N-[(4-fluorophenyl)methyl]-3-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 42509972
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 94140110
2,2-dimethyl-N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 56711026
N-[[(3S)-1-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]acetamide
CID 97237498
N-[[(3S)-1-[(2-phenylphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95217230
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
(3S,4S)-4-(4-fluorophenyl)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-ol
CID 50984812
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 71879874
(2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274104
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 77091978

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide (CID 95193385) is 2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide is CC(C)(C)C(=O)NC[C@H]1CCN(Cc2cn[nH]c2-c2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is DCWVVKHDIDOJNN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)19(25)21-11-15-9-10-24(13-15)14-17-12-22-23-18(17)16-7-5-4-6-8-16/h4-8,12,15H,9-11,13-14H2,1-3H3,(H,21,25)(H,22,23)/t15-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide?
2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 95193385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).