1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole

C17H27N5 — CID 125022886

IUPAC1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
SMILESCCCCn1cc(CN2CC[C@@H](c3[nH]ncc3C)C2)c(C)n1
InChIInChI=1S/C17H27N5/c1-4-5-7-22-12-16(14(3)20-22)11-21-8-6-15(10-21)17-13(2)9-18-19-17/h9,12,15H,4-8,10-11H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyYTTWLHQGOBQBFL-OAHLLOKOSA-N
MW301.44 g/mol
LogP3.01
Rot. Bonds6

About 1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole

1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole (PubChem CID 125022886) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
PubChem CID125022886
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
SMILESCCCCn1cc(CN2CC[C@@H](c3[nH]ncc3C)C2)c(C)n1
InChIInChI=1S/C17H27N5/c1-4-5-7-22-12-16(14(3)20-22)11-21-8-6-15(10-21)17-13(2)9-18-19-17/h9,12,15H,4-8,10-11H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyYTTWLHQGOBQBFL-OAHLLOKOSA-N
XLogP3.01
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole with MolForge

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Related Compounds

(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidine
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1-(1-butyl-3-methylpyrazol-4-yl)sulfonyl-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine
CID 46970378
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CID 125008735
5,7-dimethyl-3-[[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine
CID 110106306
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3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
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(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 125026679
2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 95846027
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95844793
[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 175652643
5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole?
The IUPAC name of 1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole (CID 125022886) is 1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole.
What is the SMILES notation for 1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole?
The canonical SMILES for 1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole is CCCCn1cc(CN2CC[C@@H](c3[nH]ncc3C)C2)c(C)n1.
What is the InChIKey of 1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole?
The InChIKey is YTTWLHQGOBQBFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N5/c1-4-5-7-22-12-16(14(3)20-22)11-21-8-6-15(10-21)17-13(2)9-18-19-17/h9,12,15H,4-8,10-11H2,1-3H3,(H,18,19)/t15-/m1/s1.
What are the key properties of 1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole?
1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole has a molecular weight of 301.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methyl-4-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole is sourced from PubChem (CID 125022886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).