N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine

C15H17ClN4 — CID 114927436

IUPACN-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESClc1cnc(-n2ccc(C3CC3)n2)cc1CNC1CC1
InChIInChI=1S/C15H17ClN4/c16-13-9-18-15(7-11(13)8-17-12-3-4-12)20-6-5-14(19-20)10-1-2-10/h5-7,9-10,12,17H,1-4,8H2
InChIKeyDZUGRRKSSSRXFV-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.05
Rot. Bonds5

About N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 114927436) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID114927436
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC NameN-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESClc1cnc(-n2ccc(C3CC3)n2)cc1CNC1CC1
InChIInChI=1S/C15H17ClN4/c16-13-9-18-15(7-11(13)8-17-12-3-4-12)20-6-5-14(19-20)10-1-2-10/h5-7,9-10,12,17H,1-4,8H2
InChIKeyDZUGRRKSSSRXFV-UHFFFAOYSA-N
XLogP3.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927439
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 55078600
N-[[2-chloro-6-(3-cyclopropylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62489663
N-[[5-chloro-2-(4,5-dimethylimidazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114927421
N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114924960
N-[[5-chloro-2-(4-propan-2-ylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 103502948
N-[[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 106589167
1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62490733
N-[[5-chloro-6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62491063
N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927432
N-[[2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62491581
[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 114927427

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 114927436) is N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine is Clc1cnc(-n2ccc(C3CC3)n2)cc1CNC1CC1.
What is the InChIKey of N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is DZUGRRKSSSRXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-13-9-18-15(7-11(13)8-17-12-3-4-12)20-6-5-14(19-20)10-1-2-10/h5-7,9-10,12,17H,1-4,8H2.
What are the key properties of N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 288.78 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-cyclopropylpyrazol-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114927436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).