N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine

C14H20ClN5 — CID 114659668

IUPACN-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCCCn1ncc(Cl)c1C(NCC)c1ccnc(C)n1
InChIInChI=1S/C14H20ClN5/c1-4-8-20-14(11(15)9-18-20)13(16-5-2)12-6-7-17-10(3)19-12/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyAVEIXPSMOOTKSR-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.74
Rot. Bonds6

About N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine

N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine (PubChem CID 114659668) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
PubChem CID114659668
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC NameN-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
SMILESCCCn1ncc(Cl)c1C(NCC)c1ccnc(C)n1
InChIInChI=1S/C14H20ClN5/c1-4-8-20-14(11(15)9-18-20)13(16-5-2)12-6-7-17-10(3)19-12/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyAVEIXPSMOOTKSR-UHFFFAOYSA-N
XLogP2.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 114660712
N-[(4-chloro-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]ethanamine
CID 105184021
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755877
[(4-methoxy-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260511
N-[(5-bromofuran-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042736
N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042548
N-[(5-bromothiophen-2-yl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 114652684
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444702
N-[(2,5-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 115530861
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 107969129
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755859
N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 105395384

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine (CID 114659668) is N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine is CCCn1ncc(Cl)c1C(NCC)c1ccnc(C)n1.
What is the InChIKey of N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine?
The InChIKey is AVEIXPSMOOTKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-4-8-20-14(11(15)9-18-20)13(16-5-2)12-6-7-17-10(3)19-12/h6-7,9,13,16H,4-5,8H2,1-3H3.
What are the key properties of N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine?
N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propylpyrazol-5-yl)-(2-methylpyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 114659668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).