(2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine

C8H16N4 — CID 104867583

IUPAC(2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine
SMILESCc1cc(CN[C@@H](C)CN)n[nH]1
InChIInChI=1S/C8H16N4/c1-6-3-8(12-11-6)5-10-7(2)4-9/h3,7,10H,4-5,9H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyFDIPRDWLWGAIAZ-ZETCQYMHSA-N
MW168.24 g/mol
LogP0.15
Rot. Bonds4

About (2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine

(2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine (PubChem CID 104867583) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine
PubChem CID104867583
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine
SMILESCc1cc(CN[C@@H](C)CN)n[nH]1
InChIInChI=1S/C8H16N4/c1-6-3-8(12-11-6)5-10-7(2)4-9/h3,7,10H,4-5,9H2,1-2H3,(H,11,12)/t7-/m0/s1
InChIKeyFDIPRDWLWGAIAZ-ZETCQYMHSA-N
XLogP0.15
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]propane-1,2-diamine
CID 104867760
(2S)-2-N-(2H-triazol-4-ylmethyl)propane-1,2-diamine
CID 104867727
(5-methyl-1H-pyrazol-3-yl)methanamine;hydrochloride
CID 12983921
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 112688776
(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 1419095
1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine;hydrochloride
CID 170893704
3,3-dimethyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]butan-1-amine
CID 99824923
ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 171515765
(2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine
CID 104867885
1-(3-methoxy-1,2-thiazol-4-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 146106309
2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553095
(2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine
CID 104868200

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine?
The IUPAC name of (2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine (CID 104867583) is (2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine?
The canonical SMILES for (2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine is Cc1cc(CN[C@@H](C)CN)n[nH]1.
What is the InChIKey of (2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine?
The InChIKey is FDIPRDWLWGAIAZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N4/c1-6-3-8(12-11-6)5-10-7(2)4-9/h3,7,10H,4-5,9H2,1-2H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine?
(2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104867583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).