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

C15H25N7 — CID 95353791

IUPAC1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole
SMILESCCCCn1nnnc1CN1CCC[C@H]1Cn1cc(C)cn1
InChIInChI=1S/C15H25N7/c1-3-4-8-22-15(17-18-19-22)12-20-7-5-6-14(20)11-21-10-13(2)9-16-21/h9-10,14H,3-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyPYRHMMQOESTPIL-AWEZNQCLSA-N
MW303.41 g/mol
LogP1.64
Rot. Bonds7

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

1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole (PubChem CID 95353791) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole.

Molecular Properties

Compound Name1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole
PubChem CID95353791
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole
SMILESCCCCn1nnnc1CN1CCC[C@H]1Cn1cc(C)cn1
InChIInChI=1S/C15H25N7/c1-3-4-8-22-15(17-18-19-22)12-20-7-5-6-14(20)11-21-10-13(2)9-16-21/h9-10,14H,3-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyPYRHMMQOESTPIL-AWEZNQCLSA-N
XLogP1.64
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole?
The IUPAC name of 1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole (CID 95353791) is 1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole.
What is the SMILES notation for 1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole?
The canonical SMILES for 1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole is CCCCn1nnnc1CN1CCC[C@H]1Cn1cc(C)cn1.
What is the InChIKey of 1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole?
The InChIKey is PYRHMMQOESTPIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N7/c1-3-4-8-22-15(17-18-19-22)12-20-7-5-6-14(20)11-21-10-13(2)9-16-21/h9-10,14H,3-8,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole?
1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole has a molecular weight of 303.41 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]tetrazole is sourced from PubChem (CID 95353791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).