(Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine

C16H27N5 — CID 71098448

IUPAC(Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine
SMILESCN/C(=C\C(C)NCCNc1cc(C2CC2)[nH]n1)C1CC1
InChIInChI=1S/C16H27N5/c1-11(9-14(17-2)12-3-4-12)18-7-8-19-16-10-15(20-21-16)13-5-6-13/h9-13,17-18H,3-8H2,1-2H3,(H2,19,20,21)/b14-9-
InChIKeyOMQMFIHFKTZWAC-ZROIWOOFSA-N
MW289.43 g/mol
LogP2.19
Rot. Bonds9

About (Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine

(Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine (PubChem CID 71098448) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is (Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine
PubChem CID71098448
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name(Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine
SMILESCN/C(=C\C(C)NCCNc1cc(C2CC2)[nH]n1)C1CC1
InChIInChI=1S/C16H27N5/c1-11(9-14(17-2)12-3-4-12)18-7-8-19-16-10-15(20-21-16)13-5-6-13/h9-13,17-18H,3-8H2,1-2H3,(H2,19,20,21)/b14-9-
InChIKeyOMQMFIHFKTZWAC-ZROIWOOFSA-N
XLogP2.19
TPSA64.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine?
The IUPAC name of (Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine (CID 71098448) is (Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine?
The canonical SMILES for (Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine is CN/C(=C\C(C)NCCNc1cc(C2CC2)[nH]n1)C1CC1.
What is the InChIKey of (Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine?
The InChIKey is OMQMFIHFKTZWAC-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H27N5/c1-11(9-14(17-2)12-3-4-12)18-7-8-19-16-10-15(20-21-16)13-5-6-13/h9-13,17-18H,3-8H2,1-2H3,(H2,19,20,21)/b14-9-.
What are the key properties of (Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine?
(Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine has a molecular weight of 289.43 g/mol, XLogP of 2.19, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopropyl-3-N-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]ethyl]-1-N-methylbut-1-ene-1,3-diamine is sourced from PubChem (CID 71098448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).