4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine

C14H20N6 — CID 62127614

IUPAC4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine
SMILESCn1cc(CN2CCN(c3ccncc3N)CC2)cn1
InChIInChI=1S/C14H20N6/c1-18-10-12(8-17-18)11-19-4-6-20(7-5-19)14-2-3-16-9-13(14)15/h2-3,8-10H,4-7,11,15H2,1H3
InChIKeyPHVOYLXZHZYCIP-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.72
Rot. Bonds3

About 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine

4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine (PubChem CID 62127614) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine
PubChem CID62127614
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine
SMILESCn1cc(CN2CCN(c3ccncc3N)CC2)cn1
InChIInChI=1S/C14H20N6/c1-18-10-12(8-17-18)11-19-4-6-20(7-5-19)14-2-3-16-9-13(14)15/h2-3,8-10H,4-7,11,15H2,1H3
InChIKeyPHVOYLXZHZYCIP-UHFFFAOYSA-N
XLogP0.72
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-2-amine
CID 62127280
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 86641657
4-[4-[2-(trifluoromethylsulfanyl)ethyl]piperazin-1-yl]pyridin-3-amine
CID 116616293
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662
1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 59321981
1-[2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethyl]imidazolidin-2-one
CID 43462485
ethyl 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]acetate
CID 43462466
2-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 62127922
4-piperidin-1-ylpyridin-3-amine;dihydrochloride
CID 86277783
4-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3,4-diamine
CID 61350597

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine (CID 62127614) is 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine is Cn1cc(CN2CCN(c3ccncc3N)CC2)cn1.
What is the InChIKey of 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine?
The InChIKey is PHVOYLXZHZYCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-18-10-12(8-17-18)11-19-4-6-20(7-5-19)14-2-3-16-9-13(14)15/h2-3,8-10H,4-7,11,15H2,1H3.
What are the key properties of 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine?
4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine has a molecular weight of 272.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 62127614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).