(2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

C16H20N6 — CID 95136759

IUPAC(2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESC[C@H](CNCc1cn[nH]c1-c1cccnc1)Cn1cccn1
InChIInChI=1S/C16H20N6/c1-13(12-22-7-3-6-20-22)8-18-10-15-11-19-21-16(15)14-4-2-5-17-9-14/h2-7,9,11,13,18H,8,10,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyHCXUJHGLGSWOGB-CYBMUJFWSA-N
MW296.38 g/mol
LogP2.09
Rot. Bonds7

About (2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine

(2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 95136759) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is (2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID95136759
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name(2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESC[C@H](CNCc1cn[nH]c1-c1cccnc1)Cn1cccn1
InChIInChI=1S/C16H20N6/c1-13(12-22-7-3-6-20-22)8-18-10-15-11-19-21-16(15)14-4-2-5-17-9-14/h2-7,9,11,13,18H,8,10,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyHCXUJHGLGSWOGB-CYBMUJFWSA-N
XLogP2.09
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 47619081
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
1-[4-(pyrazol-1-ylmethyl)phenyl]-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 86808450
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methyl-3-pyrazol-1-ylpropan-1-amine;hydrochloride
CID 86808831
(2S)-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95145763
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
(1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 95139082
4-methyl-2-morpholin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 86808085
(1S)-1-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
CID 95135767
3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43771400

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of (2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 95136759) is (2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for (2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for (2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is C[C@H](CNCc1cn[nH]c1-c1cccnc1)Cn1cccn1.
What is the InChIKey of (2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is HCXUJHGLGSWOGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N6/c1-13(12-22-7-3-6-20-22)8-18-10-15-11-19-21-16(15)14-4-2-5-17-9-14/h2-7,9,11,13,18H,8,10,12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine?
(2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 296.38 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 95136759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).