(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide

C16H20N6O — CID 94810986

IUPAC(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C16H20N6O/c23-16(17-12-5-2-1-3-6-12)14-7-4-10-21(14)11-15-18-19-20-22(15)13-8-9-13/h1-3,5-6,13-14H,4,7-11H2,(H,17,23)/t14-/m1/s1
InChIKeyRWXMKLBTYSNPLN-CQSZACIVSA-N
MW312.38 g/mol
LogP1.61
Rot. Bonds5

About (2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide

(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 94810986) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is (2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID94810986
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C16H20N6O/c23-16(17-12-5-2-1-3-6-12)14-7-4-10-21(14)11-15-18-19-20-22(15)13-8-9-13/h1-3,5-6,13-14H,4,7-11H2,(H,17,23)/t14-/m1/s1
InChIKeyRWXMKLBTYSNPLN-CQSZACIVSA-N
XLogP1.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-cyclopropyltetrazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 47023442
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide
CID 42891680
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
1-[(2S)-2-[(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95612765
N-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 47027276
(4aR,8aS)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 94083773
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
1-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-3-phenylthiourea
CID 102344784
1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 42948760
1-[1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490901
(2S)-1-benzyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 39855223

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide (CID 94810986) is (2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide is O=C(Nc1ccccc1)[C@H]1CCCN1Cc1nnnn1C1CC1.
What is the InChIKey of (2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is RWXMKLBTYSNPLN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N6O/c23-16(17-12-5-2-1-3-6-12)14-7-4-10-21(14)11-15-18-19-20-22(15)13-8-9-13/h1-3,5-6,13-14H,4,7-11H2,(H,17,23)/t14-/m1/s1.
What are the key properties of (2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide?
(2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-cyclopropyltetrazol-5-yl)methyl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 94810986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).