3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine

C11H15N5 — CID 106215673

IUPAC3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC(C)c1cn[nH]c1
InChIInChI=1S/C11H15N5/c1-7-3-10(12)6-13-11(7)16-8(2)9-4-14-15-5-9/h3-6,8H,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMZJFSGWOJRDLQD-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.87
Rot. Bonds3

About 3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine

3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine (PubChem CID 106215673) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
PubChem CID106215673
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine
SMILESCc1cc(N)cnc1NC(C)c1cn[nH]c1
InChIInChI=1S/C11H15N5/c1-7-3-10(12)6-13-11(7)16-8(2)9-4-14-15-5-9/h3-6,8H,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyMZJFSGWOJRDLQD-UHFFFAOYSA-N
XLogP1.87
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 106215700
2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 62475884
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine
CID 106217108
5-amino-2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208351
2-N-[1-(2-fluorophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 55080459
3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 113338970
5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208086
3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]benzenesulfonamide
CID 106217125
4-fluoro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217155
4-chloro-2-N-[1-(1H-pyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 106217068
3-bromo-2-N-(1-phenylethyl)pyridine-2,5-diamine
CID 79531608
1-(1H-pyrazol-4-yl)ethanamine;hydrochloride
CID 71757321

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine?
The IUPAC name of 3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine (CID 106215673) is 3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine is Cc1cc(N)cnc1NC(C)c1cn[nH]c1.
What is the InChIKey of 3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine?
The InChIKey is MZJFSGWOJRDLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7-3-10(12)6-13-11(7)16-8(2)9-4-14-15-5-9/h3-6,8H,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine?
3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine has a molecular weight of 217.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 106215673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).