1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine

C13H19N5 — CID 95817555

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCn1cc(CN2CCC(c3ccn[nH]3)CC2)cn1
InChIInChI=1S/C13H19N5/c1-17-9-11(8-15-17)10-18-6-3-12(4-7-18)13-2-5-14-16-13/h2,5,8-9,12H,3-4,6-7,10H2,1H3,(H,14,16)
InChIKeyCBEFWWDGDAQOID-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.52
Rot. Bonds3

About 1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine

1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine (PubChem CID 95817555) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
PubChem CID95817555
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
SMILESCn1cc(CN2CCC(c3ccn[nH]3)CC2)cn1
InChIInChI=1S/C13H19N5/c1-17-9-11(8-15-17)10-18-6-3-12(4-7-18)13-2-5-14-16-13/h2,5,8-9,12H,3-4,6-7,10H2,1H3,(H,14,16)
InChIKeyCBEFWWDGDAQOID-UHFFFAOYSA-N
XLogP1.52
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 95841750
1-methyl-4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
CID 129401409
2-methyl-5-[[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 124963845
5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine
CID 127247070
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
N,N-dimethyl-5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidin-2-amine
CID 110096277
3-(1-methylpyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 131929330
3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91773371
1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine
CID 77086562
N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide
CID 77038911
5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95846034
5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125012821

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine (CID 95817555) is 1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine is Cn1cc(CN2CCC(c3ccn[nH]3)CC2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
The InChIKey is CBEFWWDGDAQOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17-9-11(8-15-17)10-18-6-3-12(4-7-18)13-2-5-14-16-13/h2,5,8-9,12H,3-4,6-7,10H2,1H3,(H,14,16).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine?
1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine has a molecular weight of 245.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 95817555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).