(4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine

C9H16N4 — CID 83618685

IUPAC(4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine
SMILESNCc1[nH]ncc1N1CCCCC1
InChIInChI=1S/C9H16N4/c10-6-8-9(7-11-12-8)13-4-2-1-3-5-13/h7H,1-6,10H2,(H,11,12)
InChIKeyVSEMBOXCXVDSQF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.86
Rot. Bonds2

About (4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine

(4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine (PubChem CID 83618685) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine
PubChem CID83618685
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine
SMILESNCc1[nH]ncc1N1CCCCC1
InChIInChI=1S/C9H16N4/c10-6-8-9(7-11-12-8)13-4-2-1-3-5-13/h7H,1-6,10H2,(H,11,12)
InChIKeyVSEMBOXCXVDSQF-UHFFFAOYSA-N
XLogP0.86
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine
CID 69281646
5-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine dihydrochloride
CID 138991278
5-Methyl-1-(1-methylpiperidin-4-yl)-1h-pyrazol-4-amine
CID 69281542
1-(3-Fluoro-1-methylpiperidin-4-yl)-3-methylpyrazol-4-amine
CID 69281655
1-(1-Ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
CID 69281656
1-[1-(2-Fluoroethyl)-4-piperidinyl]-3-methyl-1H-pyrazol-4-amine
CID 87765467
1-[1-(2-Fluoroethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 89610222
1-(3-Fluoro-1-methylpiperidin-4-yl)-5-methylpyrazol-4-amine
CID 118280719
N-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)diazenyl]ethanamine
CID 137309420
N-(2-fluoro-2-methylpropyl)-5-methyl-1H-pyrazol-4-amine
CID 83816271
4-(3-Fluoropropyl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 145896009
4-(2-Fluoroethyl)-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 145897986

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine?
The IUPAC name of (4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine (CID 83618685) is (4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for (4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for (4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine is NCc1[nH]ncc1N1CCCCC1.
What is the InChIKey of (4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine?
The InChIKey is VSEMBOXCXVDSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-6-8-9(7-11-12-8)13-4-2-1-3-5-13/h7H,1-6,10H2,(H,11,12).
What are the key properties of (4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine?
(4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-yl-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 83618685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).