N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine

C18H21N5 — CID 50982921

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine
SMILESCn1cc(CN(Cc2cccc(-n3cccn3)c2)C2CC2)cn1
InChIInChI=1S/C18H21N5/c1-21-12-16(11-20-21)14-22(17-6-7-17)13-15-4-2-5-18(10-15)23-9-3-8-19-23/h2-5,8-12,17H,6-7,13-14H2,1H3
InChIKeyGVBJGMIFCOCJFL-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.77
Rot. Bonds6

About N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine

N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine (PubChem CID 50982921) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine
PubChem CID50982921
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine
SMILESCn1cc(CN(Cc2cccc(-n3cccn3)c2)C2CC2)cn1
InChIInChI=1S/C18H21N5/c1-21-12-16(11-20-21)14-22(17-6-7-17)13-15-4-2-5-18(10-15)23-9-3-8-19-23/h2-5,8-12,17H,6-7,13-14H2,1H3
InChIKeyGVBJGMIFCOCJFL-UHFFFAOYSA-N
XLogP2.77
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine (CID 50982921) is N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine is Cn1cc(CN(Cc2cccc(-n3cccn3)c2)C2CC2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine?
The InChIKey is GVBJGMIFCOCJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-21-12-16(11-20-21)14-22(17-6-7-17)13-15-4-2-5-18(10-15)23-9-3-8-19-23/h2-5,8-12,17H,6-7,13-14H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine has a molecular weight of 307.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 50982921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).