3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole

C15H21N5 — CID 126946602

IUPAC3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESc1cnn(C2CCN(Cc3n[nH]c4c3CCCC4)C2)c1
InChIInChI=1S/C15H21N5/c1-2-5-14-13(4-1)15(18-17-14)11-19-9-6-12(10-19)20-8-3-7-16-20/h3,7-8,12H,1-2,4-6,9-11H2,(H,17,18)
InChIKeyXCTFGIFFFYRBKZ-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.93
Rot. Bonds3

About 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole

3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 126946602) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID126946602
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESc1cnn(C2CCN(Cc3n[nH]c4c3CCCC4)C2)c1
InChIInChI=1S/C15H21N5/c1-2-5-14-13(4-1)15(18-17-14)11-19-9-6-12(10-19)20-8-3-7-16-20/h3,7-8,12H,1-2,4-6,9-11H2,(H,17,18)
InChIKeyXCTFGIFFFYRBKZ-UHFFFAOYSA-N
XLogP1.93
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 126947027
1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948421
2-methyl-3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 126946702
3-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 126892078
3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126946565
3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 126900333
4-[[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]methyl]morpholine
CID 28642170
N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887356
(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidine-3-sulfonamide
CID 166315046
2-methyl-5-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 126946539
4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
CID 126946440
1-(1-prop-2-enylpyrrolidin-3-yl)pyrazole
CID 130778362

Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole (CID 126946602) is 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole is c1cnn(C2CCN(Cc3n[nH]c4c3CCCC4)C2)c1.
What is the InChIKey of 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is XCTFGIFFFYRBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-5-14-13(4-1)15(18-17-14)11-19-9-6-12(10-19)20-8-3-7-16-20/h3,7-8,12H,1-2,4-6,9-11H2,(H,17,18).
What are the key properties of 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole?
3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 271.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 126946602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).