1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine

C10H18N4 — CID 130523385

IUPAC1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine
SMILESCn1cc(NC[C@H]2CCCNC2)cn1
InChIInChI=1S/C10H18N4/c1-14-8-10(7-13-14)12-6-9-3-2-4-11-5-9/h7-9,11-12H,2-6H2,1H3/t9-/m0/s1
InChIKeyNUWKUIHKMPLKMH-VIFPVBQESA-N
MW194.28 g/mol
LogP0.83
Rot. Bonds3

About 1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine

1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine (PubChem CID 130523385) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine
PubChem CID130523385
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine
SMILESCn1cc(NC[C@H]2CCCNC2)cn1
InChIInChI=1S/C10H18N4/c1-14-8-10(7-13-14)12-6-9-3-2-4-11-5-9/h7-9,11-12H,2-6H2,1H3/t9-/m0/s1
InChIKeyNUWKUIHKMPLKMH-VIFPVBQESA-N
XLogP0.83
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62675763
N-[(4-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568739
3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine
CID 107462376
3-[(1-methylpyrazol-4-yl)methoxymethyl]piperidine
CID 62340735
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
1-methyl-N-(2-piperidin-4-ylethyl)pyrazol-4-amine
CID 103568741
1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564116
N-(piperidin-3-ylmethyl)-6-pyrazol-1-ylpyridin-3-amine
CID 80554281
N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride
CID 91811702
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
N-[(2-aminocyclohexyl)methyl]-1-methylpyrazol-4-amine
CID 103568948
N-[[2-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazol-4-amine
CID 103568898

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine (CID 130523385) is 1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine is Cn1cc(NC[C@H]2CCCNC2)cn1.
What is the InChIKey of 1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine?
The InChIKey is NUWKUIHKMPLKMH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N4/c1-14-8-10(7-13-14)12-6-9-3-2-4-11-5-9/h7-9,11-12H,2-6H2,1H3/t9-/m0/s1.
What are the key properties of 1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine?
1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine has a molecular weight of 194.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 130523385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).