5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole

C16H19N7 — CID 133341877

IUPAC5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
SMILESCn1cc(CC2CCN(c3nnnn3-c3ccccc3)C2)cn1
InChIInChI=1S/C16H19N7/c1-21-11-14(10-17-21)9-13-7-8-22(12-13)16-18-19-20-23(16)15-5-3-2-4-6-15/h2-6,10-11,13H,7-9,12H2,1H3
InChIKeyPWSXJWUGEOCCBK-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.46
Rot. Bonds4

About 5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole

5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole (PubChem CID 133341877) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole.

Molecular Properties

Compound Name5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
PubChem CID133341877
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole
SMILESCn1cc(CC2CCN(c3nnnn3-c3ccccc3)C2)cn1
InChIInChI=1S/C16H19N7/c1-21-11-14(10-17-21)9-13-7-8-22(12-13)16-18-19-20-23(16)15-5-3-2-4-6-15/h2-6,10-11,13H,7-9,12H2,1H3
InChIKeyPWSXJWUGEOCCBK-UHFFFAOYSA-N
XLogP1.46
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
2-[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 114802333
3-[[1-(1-phenyltetrazol-5-yl)pyrrolidin-3-yl]methyl]benzamide
CID 70759328
4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine
CID 70749239
(3R)-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 102986512
1-phenyl-5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]tetrazole
CID 97262694
4-methyl-2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
CID 133342054
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 137269952
N-methyl-1-(1-phenyltetrazol-5-yl)piperidin-3-amine
CID 55084372
2-[1-(1-phenyltetrazol-5-yl)azetidin-3-yl]acetic acid
CID 64616037
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine
CID 133300635

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole?
The IUPAC name of 5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole (CID 133341877) is 5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole.
What is the SMILES notation for 5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole?
The canonical SMILES for 5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole is Cn1cc(CC2CCN(c3nnnn3-c3ccccc3)C2)cn1.
What is the InChIKey of 5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole?
The InChIKey is PWSXJWUGEOCCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-21-11-14(10-17-21)9-13-7-8-22(12-13)16-18-19-20-23(16)15-5-3-2-4-6-15/h2-6,10-11,13H,7-9,12H2,1H3.
What are the key properties of 5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole?
5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole has a molecular weight of 309.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-1-phenyltetrazole is sourced from PubChem (CID 133341877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).