N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

C14H22N8O — CID 129335489

IUPACN-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(Cc3nnnn3C(C)C)C2)n1
InChIInChI=1S/C14H22N8O/c1-10(2)22-14(16-18-19-22)9-20-6-4-12(8-20)21-7-5-13(17-21)15-11(3)23/h5,7,10,12H,4,6,8-9H2,1-3H3,(H,15,17,23)/t12-/m1/s1
InChIKeyPFTGXWFMOVUAGU-GFCCVEGCSA-N
MW318.39 g/mol
LogP0.86
Rot. Bonds5

About N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide

N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (PubChem CID 129335489) has the molecular formula C14H22N8O and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
PubChem CID129335489
Molecular FormulaC14H22N8O
Molecular Weight318.39 g/mol
Exact Mass318.19
IUPAC NameN-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
SMILESCC(=O)Nc1ccn([C@@H]2CCN(Cc3nnnn3C(C)C)C2)n1
InChIInChI=1S/C14H22N8O/c1-10(2)22-14(16-18-19-22)9-20-6-4-12(8-20)21-7-5-13(17-21)15-11(3)23/h5,7,10,12H,4,6,8-9H2,1-3H3,(H,15,17,23)/t12-/m1/s1
InChIKeyPFTGXWFMOVUAGU-GFCCVEGCSA-N
XLogP0.86
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129006730
N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129328085
N-[1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129338235
N-[1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129003877
N-[1-[(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129341818
N-[1-[1-(2-benzyl-3-phenylpropyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 119038675
N-[1-[(3R)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129334130
N-[1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129339923
N-[1-[(3S)-1-[(2R)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327404
N-[1-[(3S)-1-[(2S)-2-ethoxypropanoyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327403
N-[1-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129004093
N-[1-[(3S)-1-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129330227

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide (CID 129335489) is N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is CC(=O)Nc1ccn([C@@H]2CCN(Cc3nnnn3C(C)C)C2)n1.
What is the InChIKey of N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
The InChIKey is PFTGXWFMOVUAGU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N8O/c1-10(2)22-14(16-18-19-22)9-20-6-4-12(8-20)21-7-5-13(17-21)15-11(3)23/h5,7,10,12H,4,6,8-9H2,1-3H3,(H,15,17,23)/t12-/m1/s1.
What are the key properties of N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide?
N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide has a molecular weight of 318.39 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R)-1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 129335489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).