4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole

C14H18N6 — CID 70736676

IUPAC4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCCn1ccnc1-c1cnc[nH]1
InChIInChI=1S/C14H18N6/c1-10-12(11(2)19-18-10)4-3-6-20-7-5-16-14(20)13-8-15-9-17-13/h5,7-9H,3-4,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyMOKHKCAFCVZZNS-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.25
Rot. Bonds5

About 4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole

4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 70736676) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole
PubChem CID70736676
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1CCCn1ccnc1-c1cnc[nH]1
InChIInChI=1S/C14H18N6/c1-10-12(11(2)19-18-10)4-3-6-20-7-5-16-14(20)13-8-15-9-17-13/h5,7-9H,3-4,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyMOKHKCAFCVZZNS-UHFFFAOYSA-N
XLogP2.25
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole (CID 70736676) is 4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1CCCn1ccnc1-c1cnc[nH]1.
What is the InChIKey of 4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is MOKHKCAFCVZZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-10-12(11(2)19-18-10)4-3-6-20-7-5-16-14(20)13-8-15-9-17-13/h5,7-9H,3-4,6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole?
4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 270.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 70736676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).