N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine

C18H24N10 — CID 68506536

IUPACN,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
SMILESc1cc(CN(CCN(Cc2ccn[nH]2)Cc2ccn[nH]2)Cc2ccn[nH]2)[nH]n1
InChIInChI=1S/C18H24N10/c1-5-19-23-15(1)11-27(12-16-2-6-20-24-16)9-10-28(13-17-3-7-21-25-17)14-18-4-8-22-26-18/h1-8H,9-14H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKeyWPDWRXLRQPCMKZ-UHFFFAOYSA-N
MW380.46 g/mol
LogP1.28
Rot. Bonds11

About N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine

N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 68506536) has the molecular formula C18H24N10 and a molecular weight of 380.46 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID68506536
Molecular FormulaC18H24N10
Molecular Weight380.46 g/mol
Exact Mass380.22
IUPAC NameN,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
SMILESc1cc(CN(CCN(Cc2ccn[nH]2)Cc2ccn[nH]2)Cc2ccn[nH]2)[nH]n1
InChIInChI=1S/C18H24N10/c1-5-19-23-15(1)11-27(12-16-2-6-20-24-16)9-10-28(13-17-3-7-21-25-17)14-18-4-8-22-26-18/h1-8H,9-14H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26)
InChIKeyWPDWRXLRQPCMKZ-UHFFFAOYSA-N
XLogP1.28
TPSA121.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine (CID 68506536) is N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine is c1cc(CN(CCN(Cc2ccn[nH]2)Cc2ccn[nH]2)Cc2ccn[nH]2)[nH]n1.
What is the InChIKey of N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is WPDWRXLRQPCMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N10/c1-5-19-23-15(1)11-27(12-16-2-6-20-24-16)9-10-28(13-17-3-7-21-25-17)14-18-4-8-22-26-18/h1-8H,9-14H2,(H,19,23)(H,20,24)(H,21,25)(H,22,26).
What are the key properties of N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine?
N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 380.46 g/mol, XLogP of 1.28, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 68506536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).