N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine

C15H22ClN3OS — CID 105041706

IUPACN-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1OC)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H22ClN3OS/c1-5-7-17-13(15-12(20-4)6-8-21-15)14-11(16)9-18-19(14)10(2)3/h6,8-10,13,17H,5,7H2,1-4H3
InChIKeyPBANAJJIPCVLBK-UHFFFAOYSA-N
MW327.88 g/mol
LogP4.28
Rot. Bonds7

About N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine

N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine (PubChem CID 105041706) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
PubChem CID105041706
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC NameN-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1sccc1OC)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H22ClN3OS/c1-5-7-17-13(15-12(20-4)6-8-21-15)14-11(16)9-18-19(14)10(2)3/h6,8-10,13,17H,5,7H2,1-4H3
InChIKeyPBANAJJIPCVLBK-UHFFFAOYSA-N
XLogP4.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105042817
N-[(4-bromothiophen-2-yl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 114652806
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105042131
N-[(4-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 81127501
N-[(3-methoxythiophen-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 81124888
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923904
N-[(2,6-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115859772
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-propylpentan-1-amine
CID 114657470
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115835397
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 105190004
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 114660729
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 114653705

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine (CID 105041706) is N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine is CCCNC(c1sccc1OC)c1c(Cl)cnn1C(C)C.
What is the InChIKey of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
The InChIKey is PBANAJJIPCVLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c1-5-7-17-13(15-12(20-4)6-8-21-15)14-11(16)9-18-19(14)10(2)3/h6,8-10,13,17H,5,7H2,1-4H3.
What are the key properties of N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine?
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine has a molecular weight of 327.88 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105041706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).