N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine

C14H21N5O — CID 62718601

IUPACN-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine
SMILESCOCCNCCCc1cnn(-c2cc(C)ncn2)c1
InChIInChI=1S/C14H21N5O/c1-12-8-14(17-11-16-12)19-10-13(9-18-19)4-3-5-15-6-7-20-2/h8-11,15H,3-7H2,1-2H3
InChIKeyPHVRRODUIXRDEZ-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.14
Rot. Bonds8

About N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine

N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine (PubChem CID 62718601) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine
PubChem CID62718601
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine
SMILESCOCCNCCCc1cnn(-c2cc(C)ncn2)c1
InChIInChI=1S/C14H21N5O/c1-12-8-14(17-11-16-12)19-10-13(9-18-19)4-3-5-15-6-7-20-2/h8-11,15H,3-7H2,1-2H3
InChIKeyPHVRRODUIXRDEZ-UHFFFAOYSA-N
XLogP1.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
CID 62719108
3-[4-[3-(2-methoxyethylamino)propyl]pyrazol-1-yl]benzonitrile
CID 62719315
3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62718450
3-(1-cycloheptylpyrazol-4-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62719507
N-propyl-3-(1-pyrazin-2-ylpyrazol-4-yl)propan-1-amine
CID 81041509
N-ethyl-3-[1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propan-1-amine
CID 55111123
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
CID 63276788
4-(4-fluoropyrazol-1-yl)-6-methylpyrimidine
CID 144775187
3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503068
3-[1-(5-bromo-2-pyridinyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 65349761
3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62718617
N-(2-methoxyethyl)-3-pyridin-4-ylpropan-1-amine
CID 62549187

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine (CID 62718601) is N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine is COCCNCCCc1cnn(-c2cc(C)ncn2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine?
The InChIKey is PHVRRODUIXRDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-12-8-14(17-11-16-12)19-10-13(9-18-19)4-3-5-15-6-7-20-2/h8-11,15H,3-7H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine?
N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-(6-methylpyrimidin-4-yl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 62718601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).