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

C12H17N5 — CID 62040677

IUPAC5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine
SMILESCc1[nH]ncc1CCCNc1ccc(N)nc1
InChIInChI=1S/C12H17N5/c1-9-10(7-16-17-9)3-2-6-14-11-4-5-12(13)15-8-11/h4-5,7-8,14H,2-3,6H2,1H3,(H2,13,15)(H,16,17)
InChIKeyJAMFPTDWAJXNOZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.74
Rot. Bonds5

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

5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine (PubChem CID 62040677) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine
PubChem CID62040677
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine
SMILESCc1[nH]ncc1CCCNc1ccc(N)nc1
InChIInChI=1S/C12H17N5/c1-9-10(7-16-17-9)3-2-6-14-11-4-5-12(13)15-8-11/h4-5,7-8,14H,2-3,6H2,1H3,(H2,13,15)(H,16,17)
InChIKeyJAMFPTDWAJXNOZ-UHFFFAOYSA-N
XLogP1.74
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1H-pyrazol-5-yl)pyridine
CID 7074967
5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
4-[3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(1-Methylpiperidin-4-Yl)pyrimidin-2-Amine
CID 49800099
5-Bromo-N~4~-(3-Methyl-1h-Pyrazol-5-Yl)-N~2~-[2-(Pyridin-3-Yl)ethyl]pyrimidine-2,4-Diamine
CID 56973548
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
Cyclohexyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46902013
N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)ethane-1,2-diamine
CID 71254199
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
4-(1H-Pyrazol-3-yl)pyridine
CID 16412755
Arylpyrazole, 23
CID 44143423
3-(5-Methyl-1H-pyrazol-3-yl)pyridine
CID 12707229

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine?
The IUPAC name of 5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine (CID 62040677) is 5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine?
The canonical SMILES for 5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine is Cc1[nH]ncc1CCCNc1ccc(N)nc1.
What is the InChIKey of 5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine?
The InChIKey is JAMFPTDWAJXNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-10(7-16-17-9)3-2-6-14-11-4-5-12(13)15-8-11/h4-5,7-8,14H,2-3,6H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine?
5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine is sourced from PubChem (CID 62040677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).