N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine

C13H19N5 — CID 19627646

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
SMILESCCn1ccc(CNCc2cc(C3CC3)n[nH]2)n1
InChIInChI=1S/C13H19N5/c1-2-18-6-5-11(17-18)8-14-9-12-7-13(16-15-12)10-3-4-10/h5-7,10,14H,2-4,8-9H2,1H3,(H,15,16)
InChIKeyVGLOBARVTHKCDX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.79
Rot. Bonds6

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine (PubChem CID 19627646) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
PubChem CID19627646
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine
SMILESCCn1ccc(CNCc2cc(C3CC3)n[nH]2)n1
InChIInChI=1S/C13H19N5/c1-2-18-6-5-11(17-18)8-14-9-12-7-13(16-15-12)10-3-4-10/h5-7,10,14H,2-4,8-9H2,1H3,(H,15,16)
InChIKeyVGLOBARVTHKCDX-UHFFFAOYSA-N
XLogP1.79
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine (CID 19627646) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine is CCn1ccc(CNCc2cc(C3CC3)n[nH]2)n1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
The InChIKey is VGLOBARVTHKCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-18-6-5-11(17-18)8-14-9-12-7-13(16-15-12)10-3-4-10/h5-7,10,14H,2-4,8-9H2,1H3,(H,15,16).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(1-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 19627646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).