1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole

C13H19N7 — CID 95337559

IUPAC1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole
SMILESCn1cc([C@@H]2CCCN2Cc2nnnn2C2CC2)cn1
InChIInChI=1S/C13H19N7/c1-18-8-10(7-14-18)12-3-2-6-19(12)9-13-15-16-17-20(13)11-4-5-11/h7-8,11-12H,2-6,9H2,1H3/t12-/m0/s1
InChIKeyXPBQROKBQUXCSD-LBPRGKRZSA-N
MW273.34 g/mol
LogP1.08
Rot. Bonds4

About 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole

1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole (PubChem CID 95337559) has the molecular formula C13H19N7 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole
PubChem CID95337559
Molecular FormulaC13H19N7
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole
SMILESCn1cc([C@@H]2CCCN2Cc2nnnn2C2CC2)cn1
InChIInChI=1S/C13H19N7/c1-18-8-10(7-14-18)12-3-2-6-19(12)9-13-15-16-17-20(13)11-4-5-11/h7-8,11-12H,2-6,9H2,1H3/t12-/m0/s1
InChIKeyXPBQROKBQUXCSD-LBPRGKRZSA-N
XLogP1.08
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole?
The IUPAC name of 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole (CID 95337559) is 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole?
The canonical SMILES for 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole is Cn1cc([C@@H]2CCCN2Cc2nnnn2C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole?
The InChIKey is XPBQROKBQUXCSD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N7/c1-18-8-10(7-14-18)12-3-2-6-19(12)9-13-15-16-17-20(13)11-4-5-11/h7-8,11-12H,2-6,9H2,1H3/t12-/m0/s1.
What are the key properties of 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole?
1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole has a molecular weight of 273.34 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]tetrazole is sourced from PubChem (CID 95337559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).