(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine

C10H17N3O — CID 165430584

IUPAC(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
SMILESCOc1cnn(C[C@H]2CCCNC2)c1
InChIInChI=1S/C10H17N3O/c1-14-10-6-12-13(8-10)7-9-3-2-4-11-5-9/h6,8-9,11H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyBNYQWMAVSCRTGO-VIFPVBQESA-N
MW195.27 g/mol
LogP0.89
Rot. Bonds3

About (3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine

(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine (PubChem CID 165430584) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
PubChem CID165430584
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
SMILESCOc1cnn(C[C@H]2CCCNC2)c1
InChIInChI=1S/C10H17N3O/c1-14-10-6-12-13(8-10)7-9-3-2-4-11-5-9/h6,8-9,11H,2-5,7H2,1H3/t9-/m0/s1
InChIKeyBNYQWMAVSCRTGO-VIFPVBQESA-N
XLogP0.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(4-iodopyrazol-1-yl)methyl]piperidine
CID 129369974
3-[[4-(difluoromethyl)pyrazol-1-yl]methyl]piperidine
CID 84734904
3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 84735734
1-(azetidin-3-ylmethyl)-4-ethoxypyrazole
CID 117125073
2-[(4-methoxypyrazol-1-yl)methyl]morpholine
CID 130511290
3-[(1-propylpyrazol-4-yl)oxymethyl]piperidine;hydrochloride
CID 164576503
1-(cyclopropylmethyl)-4-(pyrrolidin-3-ylmethoxy)pyrazole
CID 164576587
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine
CID 121214022
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520
4-iodo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 165429519
1-(pyrrolidin-3-ylmethyl)-4-[4-(trifluoromethyl)phenoxy]pyrazole
CID 117125078

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine?
The IUPAC name of (3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine (CID 165430584) is (3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine?
The canonical SMILES for (3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine is COc1cnn(C[C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine?
The InChIKey is BNYQWMAVSCRTGO-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O/c1-14-10-6-12-13(8-10)7-9-3-2-4-11-5-9/h6,8-9,11H,2-5,7H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine?
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine has a molecular weight of 195.27 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 165430584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).